 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_M11-def2SVPDr.in
 Output=24_bromohexahelicene_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/24_bromohexahelicene_STD/Gau-32306.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32308.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=24_bromohexahelicene_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 16:45:03 2021, MaxMem= 16106127360 cpu:               3.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 24 16:45:04 2021, MaxMem= 16106127360 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Sat Jul 24 16:45:04 2021, MaxMem= 16106127360 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 6 1.00
     Exponent=  1.1328638776D+05 Coefficients=  1.4283037779D-03
     Exponent=  1.7009626303D+04 Coefficients=  1.0950417496D-02
     Exponent=  3.8701842567D+03 Coefficients=  5.4421006604D-02
     Exponent=  1.0930357227D+03 Coefficients=  1.9047907695D-01
     Exponent=  3.5639721797D+02 Coefficients=  3.9024642737D-01
     Exponent=  1.2312539643D+02 Coefficients=  3.0814432514D-01
 S 3 1.00
     Exponent=  2.3674084007D+02 Coefficients= -1.1228065671D-01
     Exponent=  2.8468661070D+01 Coefficients=  6.4775962312D-01
     Exponent=  1.1883443722D+01 Coefficients=  4.4235575986D-01
 S 3 1.00
     Exponent=  2.1269633312D+01 Coefficients= -2.2642576323D-01
     Exponent=  3.6129226841D+00 Coefficients=  7.3823712008D-01
     Exponent=  1.6626648969D+00 Coefficients=  4.2683868694D-01
 S 1 1.00
     Exponent=  3.4823793232D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3019031394D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0966709763D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  1.5602801881D+03 Coefficients=  8.7166669072D-03
     Exponent=  3.6847859205D+02 Coefficients=  6.6243637420D-02
     Exponent=  1.1722978849D+02 Coefficients=  2.6495610385D-01
     Exponent=  4.2648909248D+01 Coefficients=  5.3839160587D-01
     Exponent=  1.6087225096D+01 Coefficients=  3.6579387888D-01
 P 3 1.00
     Exponent=  8.6352810058D+00 Coefficients=  3.4248787366D-01
     Exponent=  3.5613665502D+00 Coefficients=  5.7500678213D-01
     Exponent=  1.5292626609D+00 Coefficients=  2.4330394172D-01
 P 1 1.00
     Exponent=  5.3064294848D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5702758965D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9636841846D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.0485518642D+02 Coefficients=  2.2650147581D-02
     Exponent=  3.0281143688D+01 Coefficients=  1.3455483230D-01
     Exponent=  1.0651394267D+01 Coefficients=  3.6474454537D-01
     Exponent=  3.8699456233D+00 Coefficients=  4.9044587056D-01
 D 1 1.00
     Exponent=  1.3240876762D+00 Coefficients=  2.7137289040D-01
 D 1 1.00
     Exponent=  3.8900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.6543342393D-02 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   737 symmetry adapted cartesian basis functions of A   symmetry.
 There are   681 symmetry adapted basis functions of A   symmetry.
   681 basis functions,  1072 primitive gaussians,   737 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sat Jul 24 16:45:05 2021, MaxMem= 16106127360 cpu:              11.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   681 RedAO= T EigKep=  3.13D-06  NBF=   681
 NBsUse=   681 1.00D-06 EigRej= -1.00D+00 NBFU=   681
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   736   736   736   736   736 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Sat Jul 24 16:45:07 2021, MaxMem= 16106127360 cpu:              22.5 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 16:45:08 2021, MaxMem= 16106127360 cpu:               3.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 16:45:10 2021, MaxMem= 16106127360 cpu:              35.1 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105022454 LenY= 16104478548
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3571.98295897101    
 DIIS: error= 4.98D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3571.98295897101     IErMin= 1 ErrMin= 4.98D-03
 ErrMax= 4.98D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-02 BMatP= 4.19D-02
 IDIUse=3 WtCom= 9.50D-01 WtEn= 4.98D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.286 Goal=   None    Shift=    0.000
 GapD=    0.286 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.42D-02 MaxDP=1.94D+00              OVMax= 2.52D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.97D-02    CP:  1.30D+00
 E= -3572.02298257743     Delta-E=       -0.040023606415 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3572.02298257743     IErMin= 2 ErrMin= 1.19D-03
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-03 BMatP= 4.19D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.19D-02
 Coeff-Com:  0.205D-01 0.979D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.203D-01 0.980D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=5.01D-03 MaxDP=4.84D-01 DE=-4.00D-02 OVMax= 8.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.33D-03    CP:  1.37D+00  1.14D+00
 E= -3572.02474355516     Delta-E=       -0.001760977732 Rises=F Damp=F
 DIIS: error= 7.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3572.02474355516     IErMin= 3 ErrMin= 7.38D-04
 ErrMax= 7.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-04 BMatP= 2.08D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.38D-03
 Coeff-Com: -0.442D-01 0.328D+00 0.716D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.439D-01 0.326D+00 0.718D+00
 Gap=     0.288 Goal=   None    Shift=    0.000
 RMSDP=6.71D-04 MaxDP=6.74D-02 DE=-1.76D-03 OVMax= 3.36D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.90D-04    CP:  1.38D+00  1.16D+00  1.10D+00
 E= -3572.02504253119     Delta-E=       -0.000298976030 Rises=F Damp=F
 DIIS: error= 7.83D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3572.02504253119     IErMin= 4 ErrMin= 7.83D-05
 ErrMax= 7.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-05 BMatP= 6.24D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.684D-02-0.906D-02 0.962D-01 0.920D+00
 Coeff:     -0.684D-02-0.906D-02 0.962D-01 0.920D+00
 Gap=     0.288 Goal=   None    Shift=    0.000
 RMSDP=1.46D-04 MaxDP=8.17D-03 DE=-2.99D-04 OVMax= 2.30D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.31D-04    CP:  1.38D+00  1.16D+00  1.12D+00  1.11D+00
 E= -3572.02507388442     Delta-E=       -0.000031353230 Rises=F Damp=F
 DIIS: error= 7.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3572.02507388442     IErMin= 5 ErrMin= 7.49D-05
 ErrMax= 7.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-05 BMatP= 2.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-02-0.379D-01-0.261D-01 0.474D+00 0.589D+00
 Coeff:      0.114D-02-0.379D-01-0.261D-01 0.474D+00 0.589D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=5.97D-05 MaxDP=2.40D-03 DE=-3.14D-05 OVMax= 1.22D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.02D-05    CP:  1.38D+00  1.16D+00  1.12D+00  1.19D+00  8.73D-01
 E= -3572.02508850233     Delta-E=       -0.000014617914 Rises=F Damp=F
 DIIS: error= 2.26D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3572.02508850233     IErMin= 6 ErrMin= 2.26D-05
 ErrMax= 2.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.26D-07 BMatP= 1.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-02-0.892D-02-0.259D-01-0.364D-01 0.181D+00 0.889D+00
 Coeff:      0.153D-02-0.892D-02-0.259D-01-0.364D-01 0.181D+00 0.889D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=2.99D-05 MaxDP=1.49D-03 DE=-1.46D-05 OVMax= 6.50D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.18D-05    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  9.82D-01
                    CP:  1.14D+00
 E= -3572.02509133403     Delta-E=       -0.000002831695 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3572.02509133403     IErMin= 7 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-07 BMatP= 9.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-03 0.327D-02-0.567D-03-0.739D-01-0.648D-01 0.143D+00
 Coeff-Com:  0.992D+00
 Coeff:      0.168D-03 0.327D-02-0.567D-03-0.739D-01-0.648D-01 0.143D+00
 Coeff:      0.992D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.51D-05 MaxDP=6.56D-04 DE=-2.83D-06 OVMax= 3.19D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.28D-06    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.28D+00  1.32D+00
 E= -3572.02509182860     Delta-E=       -0.000000494570 Rises=F Damp=F
 DIIS: error= 4.28D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3572.02509182860     IErMin= 8 ErrMin= 4.28D-06
 ErrMax= 4.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-08 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.211D-03 0.308D-02 0.452D-02-0.217D-01-0.634D-01-0.109D+00
 Coeff-Com:  0.415D+00 0.772D+00
 Coeff:     -0.211D-03 0.308D-02 0.452D-02-0.217D-01-0.634D-01-0.109D+00
 Coeff:      0.415D+00 0.772D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=5.02D-06 MaxDP=1.97D-04 DE=-4.95D-07 OVMax= 1.21D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.33D-06    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.45D+00  8.96D-01
 E= -3572.02509189772     Delta-E=       -0.000000069121 Rises=F Damp=F
 DIIS: error= 8.33D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3572.02509189772     IErMin= 9 ErrMin= 8.33D-07
 ErrMax= 8.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-09 BMatP= 3.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.913D-04 0.929D-03 0.164D-02-0.172D-02-0.192D-01-0.535D-01
 Coeff-Com:  0.764D-01 0.290D+00 0.705D+00
 Coeff:     -0.913D-04 0.929D-03 0.164D-02-0.172D-02-0.192D-01-0.535D-01
 Coeff:      0.764D-01 0.290D+00 0.705D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=8.04D-05 DE=-6.91D-08 OVMax= 2.32D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.21D-01  1.08D+00
 E= -3572.02509190138     Delta-E=       -0.000000003657 Rises=F Damp=F
 DIIS: error= 2.68D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3572.02509190138     IErMin=10 ErrMin= 2.68D-07
 ErrMax= 2.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-10 BMatP= 2.58D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.358D-05-0.194D-03-0.181D-03 0.277D-02 0.383D-02 0.486D-03
 Coeff-Com: -0.401D-01-0.317D-01 0.187D+00 0.878D+00
 Coeff:      0.358D-05-0.194D-03-0.181D-03 0.277D-02 0.383D-02 0.486D-03
 Coeff:     -0.401D-01-0.317D-01 0.187D+00 0.878D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=6.24D-07 MaxDP=5.32D-05 DE=-3.66D-09 OVMax= 9.65D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.60D-07    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.36D-01  1.19D+00  1.11D+00
 E= -3572.02509190175     Delta-E=       -0.000000000376 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3572.02509190175     IErMin=11 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-11 BMatP= 2.30D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.941D-05-0.152D-03-0.203D-03 0.108D-02 0.309D-02 0.497D-02
 Coeff-Com: -0.198D-01-0.357D-01-0.642D-02 0.294D+00 0.759D+00
 Coeff:      0.941D-05-0.152D-03-0.203D-03 0.108D-02 0.309D-02 0.497D-02
 Coeff:     -0.198D-01-0.357D-01-0.642D-02 0.294D+00 0.759D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.95D-07 MaxDP=7.78D-06 DE=-3.76D-10 OVMax= 3.91D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.35D-01  1.21D+00  1.18D+00
                    CP:  1.09D+00
 E= -3572.02509190172     Delta-E=        0.000000000034 Rises=F Damp=F
 DIIS: error= 6.73D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -3572.02509190175     IErMin=12 ErrMin= 6.73D-08
 ErrMax= 6.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-12 BMatP= 3.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-05-0.262D-05-0.148D-04-0.255D-03 0.111D-03 0.126D-02
 Coeff-Com:  0.262D-02-0.303D-02-0.421D-01-0.964D-01 0.194D+00 0.944D+00
 Coeff:      0.180D-05-0.262D-05-0.148D-04-0.255D-03 0.111D-03 0.126D-02
 Coeff:      0.262D-02-0.303D-02-0.421D-01-0.964D-01 0.194D+00 0.944D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.38D-07 MaxDP=8.41D-06 DE= 3.37D-11 OVMax= 2.92D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.96D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.35D-01  1.22D+00  1.22D+00
                    CP:  1.27D+00  1.26D+00
 E= -3572.02509190152     Delta-E=        0.000000000197 Rises=F Damp=F
 DIIS: error= 2.85D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -3572.02509190175     IErMin=13 ErrMin= 2.85D-08
 ErrMax= 2.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-12 BMatP= 6.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-05 0.292D-04 0.326D-04-0.278D-03-0.591D-03-0.649D-03
 Coeff-Com:  0.458D-02 0.637D-02-0.119D-01-0.822D-01-0.885D-01 0.272D+00
 Coeff-Com:  0.901D+00
 Coeff:     -0.131D-05 0.292D-04 0.326D-04-0.278D-03-0.591D-03-0.649D-03
 Coeff:      0.458D-02 0.637D-02-0.119D-01-0.822D-01-0.885D-01 0.272D+00
 Coeff:      0.901D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=7.88D-08 MaxDP=2.64D-06 DE= 1.97D-10 OVMax= 1.48D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.40D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.36D-01  1.22D+00  1.22D+00
                    CP:  1.34D+00  1.52D+00  1.54D+00
 E= -3572.02509190148     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 1.17D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -3572.02509190175     IErMin=14 ErrMin= 1.17D-08
 ErrMax= 1.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-13 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.660D-06 0.804D-05 0.105D-04-0.221D-04-0.195D-03-0.400D-03
 Coeff-Com:  0.642D-03 0.225D-02 0.498D-02-0.873D-03-0.659D-01-0.132D+00
 Coeff-Com:  0.238D+00 0.954D+00
 Coeff:     -0.660D-06 0.804D-05 0.105D-04-0.221D-04-0.195D-03-0.400D-03
 Coeff:      0.642D-03 0.225D-02 0.498D-02-0.873D-03-0.659D-01-0.132D+00
 Coeff:      0.238D+00 0.954D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=9.51D-08 MaxDP=3.35D-06 DE= 3.82D-11 OVMax= 8.67D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.12D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.37D-01  1.22D+00  1.22D+00
                    CP:  1.38D+00  1.74D+00  2.30D+00  2.28D+00
 E= -3572.02509190139     Delta-E=        0.000000000092 Rises=F Damp=F
 DIIS: error= 5.65D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=11 EnMin= -3572.02509190175     IErMin=15 ErrMin= 5.65D-09
 ErrMax= 5.65D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.36D-14 BMatP= 2.93D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.727D-07-0.329D-05-0.313D-05 0.447D-04 0.558D-04 0.448D-04
 Coeff-Com: -0.668D-03-0.638D-03 0.336D-02 0.152D-01 0.657D-03-0.810D-01
 Coeff-Com: -0.106D+00 0.230D+00 0.939D+00
 Coeff:      0.727D-07-0.329D-05-0.313D-05 0.447D-04 0.558D-04 0.448D-04
 Coeff:     -0.668D-03-0.638D-03 0.336D-02 0.152D-01 0.657D-03-0.810D-01
 Coeff:     -0.106D+00 0.230D+00 0.939D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=4.73D-06 DE= 9.19D-11 OVMax= 3.31D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  6.21D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.39D-01  1.22D+00  1.22D+00
                    CP:  1.43D+00  2.02D+00  3.00D+00  3.00D+00  2.65D+00
 E= -3572.02509190109     Delta-E=        0.000000000300 Rises=F Damp=F
 DIIS: error= 5.20D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=11 EnMin= -3572.02509190175     IErMin=16 ErrMin= 5.20D-09
 ErrMax= 5.20D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-14 BMatP= 4.36D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.809D-07-0.188D-05-0.200D-05 0.184D-04 0.373D-04 0.573D-04
 Coeff-Com: -0.302D-03-0.449D-03 0.808D-03 0.556D-02 0.616D-02-0.180D-01
 Coeff-Com: -0.627D-01-0.293D-02 0.343D+00 0.728D+00
 Coeff:      0.809D-07-0.188D-05-0.200D-05 0.184D-04 0.373D-04 0.573D-04
 Coeff:     -0.302D-03-0.449D-03 0.808D-03 0.556D-02 0.616D-02-0.180D-01
 Coeff:     -0.627D-01-0.293D-02 0.343D+00 0.728D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.31D-07 MaxDP=4.55D-06 DE= 3.00D-10 OVMax= 1.01D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  5.45D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.40D-01  1.22D+00  1.22D+00
                    CP:  1.48D+00  2.28D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.62D+00
 E= -3572.02509190097     Delta-E=        0.000000000117 Rises=F Damp=F
 DIIS: error= 5.26D-09 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=11 EnMin= -3572.02509190175     IErMin=16 ErrMin= 5.20D-09
 ErrMax= 5.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.78D-15 BMatP= 1.37D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-4.05D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.18D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.170D-07 0.157D-06-0.446D-07 0.415D-05-0.422D-05-0.208D-04
 Coeff-Com:  0.196D-04 0.295D-04 0.585D-03 0.649D-03-0.516D-02-0.404D-02
 Coeff-Com:  0.768D-02 0.140D+00 0.860D+00
 Coeff:     -0.170D-07 0.157D-06-0.446D-07 0.415D-05-0.422D-05-0.208D-04
 Coeff:      0.196D-04 0.295D-04 0.585D-03 0.649D-03-0.516D-02-0.404D-02
 Coeff:      0.768D-02 0.140D+00 0.860D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=1.46D-07 MaxDP=5.30D-06 DE= 1.17D-10 OVMax= 4.28D-08

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  8.87D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.41D-01  1.22D+00  1.22D+00
                    CP:  1.54D+00  2.58D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.28D+00
 E= -3572.02509190082     Delta-E=        0.000000000151 Rises=F Damp=F
 DIIS: error= 4.63D-09 at cycle  18 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3572.02509190175     IErMin=16 ErrMin= 4.63D-09
 ErrMax= 4.63D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.54D-15 BMatP= 8.78D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-7.39D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.243D-05-0.352D-05-0.137D-04-0.290D-04 0.498D-04 0.481D-03
 Coeff-Com:  0.120D-02-0.307D-02-0.128D-01 0.181D-02 0.618D-01 0.657D-01
 Coeff-Com: -0.407D+00-0.934D+00 0.223D+01
 Coeff:      0.243D-05-0.352D-05-0.137D-04-0.290D-04 0.498D-04 0.481D-03
 Coeff:      0.120D-02-0.307D-02-0.128D-01 0.181D-02 0.618D-01 0.657D-01
 Coeff:     -0.407D+00-0.934D+00 0.223D+01
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=3.18D-07 MaxDP=1.15D-05 DE= 1.51D-10 OVMax= 6.00D-08

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.44D-01  1.22D+00  1.23D+00
                    CP:  1.67D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00
 E= -3572.02509190047     Delta-E=        0.000000000354 Rises=F Damp=F
 DIIS: error= 2.03D-09 at cycle  19 NSaved=  16.
 NSaved=16 IEnMin= 8 EnMin= -3572.02509190175     IErMin=16 ErrMin= 2.03D-09
 ErrMax= 2.03D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-15 BMatP= 6.54D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.36D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.834D-06 0.441D-05-0.162D-04-0.164D-04 0.164D-03 0.772D-03
 Coeff-Com:  0.142D-03-0.483D-02-0.894D-02 0.957D-02 0.788D-01 0.131D-01
 Coeff-Com: -0.544D+00 0.494D+00 0.961D+00
 Coeff:      0.834D-06 0.441D-05-0.162D-04-0.164D-04 0.164D-03 0.772D-03
 Coeff:      0.142D-03-0.483D-02-0.894D-02 0.957D-02 0.788D-01 0.131D-01
 Coeff:     -0.544D+00 0.494D+00 0.961D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=9.74D-08 MaxDP=3.88D-06 DE= 3.54D-10 OVMax= 1.44D-08

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  5.13D-08    CP:  1.38D+00  1.16D+00  1.13D+00  1.20D+00  1.02D+00
                    CP:  1.32D+00  1.46D+00  9.45D-01  1.23D+00  1.24D+00
                    CP:  1.71D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  1.51D+00
 E= -3572.02509190055     Delta-E=       -0.000000000086 Rises=F Damp=F
 DIIS: error= 7.23D-10 at cycle  20 NSaved=  16.
 NSaved=16 IEnMin= 7 EnMin= -3572.02509190175     IErMin=16 ErrMin= 7.23D-10
 ErrMax= 7.23D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-16 BMatP= 1.72D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.66D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.784D-06 0.443D-05 0.747D-06-0.401D-04-0.145D-03 0.315D-03
 Coeff-Com:  0.147D-02-0.174D-03-0.790D-02-0.134D-01 0.320D-01 0.137D+00
 Coeff-Com: -0.282D+00 0.185D+00 0.949D+00
 Coeff:     -0.784D-06 0.443D-05 0.747D-06-0.401D-04-0.145D-03 0.315D-03
 Coeff:      0.147D-02-0.174D-03-0.790D-02-0.134D-01 0.320D-01 0.137D+00
 Coeff:     -0.282D+00 0.185D+00 0.949D+00
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=3.14D-08 MaxDP=1.29D-06 DE=-8.64D-11 OVMax= 8.62D-09

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3572.02509191490     Delta-E=       -0.000000014347 Rises=F Damp=F
 DIIS: error= 1.37D-07 at cycle  21 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3572.02509191490     IErMin=15 ErrMin= 7.23D-10
 ErrMax= 1.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-12 BMatP= 2.68D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.73D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.455D-05-0.124D-05-0.470D-04-0.160D-03 0.333D-03 0.157D-02
 Coeff-Com: -0.163D-03-0.817D-02-0.142D-01 0.337D-01 0.153D+00-0.287D+00
 Coeff-Com:  0.168D+00 0.952D+00 0.703D-03
 Coeff:      0.455D-05-0.124D-05-0.470D-04-0.160D-03 0.333D-03 0.157D-02
 Coeff:     -0.163D-03-0.817D-02-0.142D-01 0.337D-01 0.153D+00-0.287D+00
 Coeff:      0.168D+00 0.952D+00 0.703D-03
 Gap=     0.289 Goal=   None    Shift=    0.000
 RMSDP=6.64D-09 MaxDP=2.06D-07 DE=-1.43D-08 OVMax= 8.01D-10

 SCF Done:  E(RM11) =  -3572.02509191     A.U. after   21 cycles
            NFock= 21  Conv=0.66D-08     -V/T= 2.0044
 KE= 3.556252232257D+03 PE=-1.401028454462D+04 EE= 4.106371123759D+03
 Leave Link  502 at Sat Jul 24 17:12:15 2021, MaxMem= 16106127360 cpu:           25949.6 elap:            1624.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   681
 NBasis=   681 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    681 NOA=   103 NOB=   103 NVA=   578 NVB=   578

 **** Warning!!: The largest alpha MO coefficient is  0.63952642D+02

 Leave Link  801 at Sat Jul 24 17:12:16 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12867 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.92D-13 8.33D-09 XBig12= 1.00D+00 3.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.92D-13 8.33D-09 XBig12= 2.84D-01 6.66D-02.
     11 vectors produced by pass  2 Test12= 9.92D-13 8.33D-09 XBig12= 6.98D-02 5.16D-02.
     11 vectors produced by pass  3 Test12= 9.92D-13 8.33D-09 XBig12= 1.08D-02 1.75D-02.
     11 vectors produced by pass  4 Test12= 9.92D-13 8.33D-09 XBig12= 2.34D-03 9.61D-03.
     11 vectors produced by pass  5 Test12= 9.92D-13 8.33D-09 XBig12= 2.87D-04 4.72D-03.
     11 vectors produced by pass  6 Test12= 9.92D-13 8.33D-09 XBig12= 3.38D-05 1.62D-03.
     11 vectors produced by pass  7 Test12= 9.92D-13 8.33D-09 XBig12= 4.90D-06 4.42D-04.
     11 vectors produced by pass  8 Test12= 9.92D-13 8.33D-09 XBig12= 6.37D-07 1.06D-04.
     11 vectors produced by pass  9 Test12= 9.92D-13 8.33D-09 XBig12= 6.22D-08 2.61D-05.
     11 vectors produced by pass 10 Test12= 9.92D-13 8.33D-09 XBig12= 2.20D-08 1.30D-05.
     11 vectors produced by pass 11 Test12= 9.92D-13 8.33D-09 XBig12= 3.98D-09 4.04D-06.
     11 vectors produced by pass 12 Test12= 9.92D-13 8.33D-09 XBig12= 9.62D-10 1.27D-06.
      8 vectors produced by pass 13 Test12= 9.92D-13 8.33D-09 XBig12= 2.95D-10 8.60D-07.
      7 vectors produced by pass 14 Test12= 9.92D-13 8.33D-09 XBig12= 1.06D-10 4.08D-07.
      3 vectors produced by pass 15 Test12= 9.92D-13 8.33D-09 XBig12= 5.40D-11 2.60D-07.
      3 vectors produced by pass 16 Test12= 9.92D-13 8.33D-09 XBig12= 2.03D-11 2.27D-07.
      2 vectors produced by pass 17 Test12= 9.92D-13 8.33D-09 XBig12= 7.47D-12 1.13D-07.
      2 vectors produced by pass 18 Test12= 9.92D-13 8.33D-09 XBig12= 3.61D-12 8.03D-08.
      2 vectors produced by pass 19 Test12= 9.92D-13 8.33D-09 XBig12= 2.86D-12 7.50D-08.
      2 vectors produced by pass 20 Test12= 9.92D-13 8.33D-09 XBig12= 2.45D-12 6.40D-08.
      2 vectors produced by pass 21 Test12= 9.92D-13 8.33D-09 XBig12= 1.29D-12 5.05D-08.
      2 vectors produced by pass 22 Test12= 9.92D-13 8.33D-09 XBig12= 8.58D-13 3.49D-08.
      2 vectors produced by pass 23 Test12= 9.92D-13 8.33D-09 XBig12= 8.86D-13 3.40D-08.
      2 vectors produced by pass 24 Test12= 9.92D-13 8.33D-09 XBig12= 7.78D-13 4.17D-08.
      2 vectors produced by pass 25 Test12= 9.92D-13 8.33D-09 XBig12= 8.70D-13 3.47D-08.
      2 vectors produced by pass 26 Test12= 9.92D-13 8.33D-09 XBig12= 8.04D-13 4.36D-08.
      2 vectors produced by pass 27 Test12= 9.92D-13 8.33D-09 XBig12= 9.21D-13 4.30D-08.
      2 vectors produced by pass 28 Test12= 9.92D-13 8.33D-09 XBig12= 7.99D-13 3.43D-08.
      2 vectors produced by pass 29 Test12= 9.92D-13 8.33D-09 XBig12= 1.03D-12 4.66D-08.
      2 vectors produced by pass 30 Test12= 9.92D-13 8.33D-09 XBig12= 7.29D-13 4.04D-08.
      2 vectors produced by pass 31 Test12= 9.92D-13 8.33D-09 XBig12= 6.22D-13 3.38D-08.
      2 vectors produced by pass 32 Test12= 9.92D-13 8.33D-09 XBig12= 4.37D-13 3.19D-08.
      2 vectors produced by pass 33 Test12= 9.92D-13 8.33D-09 XBig12= 4.05D-13 2.41D-08.
      2 vectors produced by pass 34 Test12= 9.92D-13 8.33D-09 XBig12= 2.75D-13 2.13D-08.
      2 vectors produced by pass 35 Test12= 9.92D-13 8.33D-09 XBig12= 3.16D-13 2.98D-08.
      2 vectors produced by pass 36 Test12= 9.92D-13 8.33D-09 XBig12= 4.36D-13 2.93D-08.
      2 vectors produced by pass 37 Test12= 9.92D-13 8.33D-09 XBig12= 4.22D-13 2.57D-08.
      1 vectors produced by pass 38 Test12= 9.92D-13 8.33D-09 XBig12= 3.72D-13 2.93D-08.
      1 vectors produced by pass 39 Test12= 9.92D-13 8.33D-09 XBig12= 3.39D-13 2.77D-08.
      1 vectors produced by pass 40 Test12= 9.92D-13 8.33D-09 XBig12= 3.09D-13 2.02D-08.
      1 vectors produced by pass 41 Test12= 9.92D-13 8.33D-09 XBig12= 2.36D-13 1.99D-08.
      1 vectors produced by pass 42 Test12= 9.92D-13 8.33D-09 XBig12= 2.14D-13 1.90D-08.
      1 vectors produced by pass 43 Test12= 9.92D-13 8.33D-09 XBig12= 2.19D-13 1.76D-08.
      1 vectors produced by pass 44 Test12= 9.92D-13 8.33D-09 XBig12= 2.40D-13 2.77D-08.
      1 vectors produced by pass 45 Test12= 9.92D-13 8.33D-09 XBig12= 2.53D-13 2.26D-08.
      1 vectors produced by pass 46 Test12= 9.92D-13 8.33D-09 XBig12= 2.95D-13 2.60D-08.
      1 vectors produced by pass 47 Test12= 9.92D-13 8.33D-09 XBig12= 3.39D-13 2.86D-08.
      1 vectors produced by pass 48 Test12= 9.92D-13 8.33D-09 XBig12= 3.28D-13 2.63D-08.
      1 vectors produced by pass 49 Test12= 9.92D-13 8.33D-09 XBig12= 3.06D-13 2.65D-08.
      1 vectors produced by pass 50 Test12= 9.92D-13 8.33D-09 XBig12= 2.08D-13 2.21D-08.
      1 vectors produced by pass 51 Test12= 9.92D-13 8.33D-09 XBig12= 2.43D-13 2.21D-08.
      1 vectors produced by pass 52 Test12= 9.92D-13 8.33D-09 XBig12= 2.32D-13 3.02D-08.
      1 vectors produced by pass 53 Test12= 9.92D-13 8.33D-09 XBig12= 2.35D-13 2.14D-08.
      1 vectors produced by pass 54 Test12= 9.92D-13 8.33D-09 XBig12= 2.27D-13 2.12D-08.
      1 vectors produced by pass 55 Test12= 9.92D-13 8.33D-09 XBig12= 2.76D-13 3.11D-08.
      1 vectors produced by pass 56 Test12= 9.92D-13 8.33D-09 XBig12= 2.95D-13 3.46D-08.
      1 vectors produced by pass 57 Test12= 9.92D-13 8.33D-09 XBig12= 2.07D-13 2.31D-08.
      1 vectors produced by pass 58 Test12= 9.92D-13 8.33D-09 XBig12= 2.01D-13 2.40D-08.
      1 vectors produced by pass 59 Test12= 9.92D-13 8.33D-09 XBig12= 2.14D-13 2.27D-08.
      1 vectors produced by pass 60 Test12= 9.92D-13 8.33D-09 XBig12= 2.46D-13 2.09D-08.
      1 vectors produced by pass 61 Test12= 9.92D-13 8.33D-09 XBig12= 2.34D-13 2.80D-08.
      1 vectors produced by pass 62 Test12= 9.92D-13 8.33D-09 XBig12= 2.37D-13 2.41D-08.
      1 vectors produced by pass 63 Test12= 9.92D-13 8.33D-09 XBig12= 2.14D-13 2.38D-08.
      1 vectors produced by pass 64 Test12= 9.92D-13 8.33D-09 XBig12= 1.72D-13 1.63D-08.
      1 vectors produced by pass 65 Test12= 9.92D-13 8.33D-09 XBig12= 1.85D-13 2.07D-08.
      1 vectors produced by pass 66 Test12= 9.92D-13 8.33D-09 XBig12= 1.96D-13 2.17D-08.
      1 vectors produced by pass 67 Test12= 9.92D-13 8.33D-09 XBig12= 1.54D-13 2.19D-08.
      1 vectors produced by pass 68 Test12= 9.92D-13 8.33D-09 XBig12= 2.13D-13 2.88D-08.
      1 vectors produced by pass 69 Test12= 9.92D-13 8.33D-09 XBig12= 2.56D-13 2.82D-08.
      1 vectors produced by pass 70 Test12= 9.92D-13 8.33D-09 XBig12= 2.09D-13 2.09D-08.
      1 vectors produced by pass 71 Test12= 9.92D-13 8.33D-09 XBig12= 1.75D-13 1.58D-08.
      1 vectors produced by pass 72 Test12= 9.92D-13 8.33D-09 XBig12= 2.09D-13 1.85D-08.
      1 vectors produced by pass 73 Test12= 9.92D-13 8.33D-09 XBig12= 2.27D-13 2.09D-08.
      1 vectors produced by pass 74 Test12= 9.92D-13 8.33D-09 XBig12= 2.26D-13 2.22D-08.
      1 vectors produced by pass 75 Test12= 9.92D-13 8.33D-09 XBig12= 2.25D-13 2.05D-08.
      1 vectors produced by pass 76 Test12= 9.92D-13 8.33D-09 XBig12= 1.69D-13 1.70D-08.
      1 vectors produced by pass 77 Test12= 9.92D-13 8.33D-09 XBig12= 1.90D-13 1.99D-08.
      1 vectors produced by pass 78 Test12= 9.92D-13 8.33D-09 XBig12= 1.52D-13 1.72D-08.
      1 vectors produced by pass 79 Test12= 9.92D-13 8.33D-09 XBig12= 1.75D-13 1.54D-08.
      1 vectors produced by pass 80 Test12= 9.92D-13 8.33D-09 XBig12= 1.96D-13 1.83D-08.
      1 vectors produced by pass 81 Test12= 9.92D-13 8.33D-09 XBig12= 2.29D-13 2.45D-08.
      1 vectors produced by pass 82 Test12= 9.92D-13 8.33D-09 XBig12= 1.93D-13 2.36D-08.
      1 vectors produced by pass 83 Test12= 9.92D-13 8.33D-09 XBig12= 1.63D-13 1.93D-08.
      1 vectors produced by pass 84 Test12= 9.92D-13 8.33D-09 XBig12= 1.72D-13 1.74D-08.
      1 vectors produced by pass 85 Test12= 9.92D-13 8.33D-09 XBig12= 1.47D-13 1.55D-08.
      1 vectors produced by pass 86 Test12= 9.92D-13 8.33D-09 XBig12= 1.40D-13 1.69D-08.
      1 vectors produced by pass 87 Test12= 9.92D-13 8.33D-09 XBig12= 1.18D-13 1.62D-08.
      1 vectors produced by pass 88 Test12= 9.92D-13 8.33D-09 XBig12= 1.39D-13 1.92D-08.
      1 vectors produced by pass 89 Test12= 9.92D-13 8.33D-09 XBig12= 1.70D-13 1.90D-08.
      1 vectors produced by pass 90 Test12= 9.92D-13 8.33D-09 XBig12= 2.28D-13 2.07D-08.
      1 vectors produced by pass 91 Test12= 9.92D-13 8.33D-09 XBig12= 1.63D-13 1.89D-08.
      1 vectors produced by pass 92 Test12= 9.92D-13 8.33D-09 XBig12= 1.53D-13 1.62D-08.
      1 vectors produced by pass 93 Test12= 9.92D-13 8.33D-09 XBig12= 1.43D-13 2.48D-08.
      1 vectors produced by pass 94 Test12= 9.92D-13 8.33D-09 XBig12= 1.47D-13 1.55D-08.
      1 vectors produced by pass 95 Test12= 9.92D-13 8.33D-09 XBig12= 1.02D-13 1.34D-08.
      1 vectors produced by pass 96 Test12= 9.92D-13 8.33D-09 XBig12= 1.14D-13 1.50D-08.
      1 vectors produced by pass 97 Test12= 9.92D-13 8.33D-09 XBig12= 1.00D-13 1.16D-08.
      1 vectors produced by pass 98 Test12= 9.92D-13 8.33D-09 XBig12= 1.14D-13 1.55D-08.
      1 vectors produced by pass 99 Test12= 9.92D-13 8.33D-09 XBig12= 1.20D-13 1.54D-08.
      1 vectors produced by pass100 Test12= 9.92D-13 8.33D-09 XBig12= 8.68D-14 1.41D-08.
      1 vectors produced by pass101 Test12= 9.92D-13 8.33D-09 XBig12= 8.73D-14 1.17D-08.
      1 vectors produced by pass102 Test12= 9.92D-13 8.33D-09 XBig12= 7.10D-14 1.26D-08.
      1 vectors produced by pass103 Test12= 9.92D-13 8.33D-09 XBig12= 6.07D-14 9.30D-09.
      1 vectors produced by pass104 Test12= 9.92D-13 8.33D-09 XBig12= 6.89D-14 1.16D-08.
      1 vectors produced by pass105 Test12= 9.92D-13 8.33D-09 XBig12= 8.16D-14 1.09D-08.
      1 vectors produced by pass106 Test12= 9.92D-13 8.33D-09 XBig12= 9.25D-14 1.47D-08.
      1 vectors produced by pass107 Test12= 9.92D-13 8.33D-09 XBig12= 1.05D-13 1.48D-08.
      1 vectors produced by pass108 Test12= 9.92D-13 8.33D-09 XBig12= 8.93D-14 1.22D-08.
      1 vectors produced by pass109 Test12= 9.92D-13 8.33D-09 XBig12= 9.05D-14 1.18D-08.
      1 vectors produced by pass110 Test12= 9.92D-13 8.33D-09 XBig12= 1.09D-13 1.32D-08.
      1 vectors produced by pass111 Test12= 9.92D-13 8.33D-09 XBig12= 9.08D-14 1.21D-08.
      1 vectors produced by pass112 Test12= 9.92D-13 8.33D-09 XBig12= 8.49D-14 1.07D-08.
      1 vectors produced by pass113 Test12= 9.92D-13 8.33D-09 XBig12= 7.16D-14 1.08D-08.
      1 vectors produced by pass114 Test12= 9.92D-13 8.33D-09 XBig12= 6.45D-14 1.20D-08.
      1 vectors produced by pass115 Test12= 9.92D-13 8.33D-09 XBig12= 5.67D-14 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   284 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.438348D+03
      2 -0.184831D+02  0.402464D+03
      3  0.448074D+02  0.442095D+02  0.238651D+03
 Isotropic polarizability for W=    0.085645      359.82 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.650246D+03  0.407995D+02 -0.306784D+03
      2   0.224362D+03  0.131607D+02 -0.173208D+02
      3   0.425884D+03 -0.539602D+02  0.324105D+03
      4   0.109563D+03 -0.354822D+03 -0.318708D+03
      5  -0.126383D+03 -0.188342D+03  0.604001D+02
      6  -0.297413D+03  0.988748D+02 -0.170866D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.190266D+03 -0.279193D+02  0.139020D+03
      2  -0.112658D+03 -0.686022D+02 -0.495654D+02
      3   0.130826D+03  0.597463D+03 -0.213384D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.130366D+03  0.116196D+03  0.116905D+03
      2  -0.180402D+03 -0.212958D+02 -0.365484D+03
      3   0.687637D+02  0.579184D+03 -0.109070D+03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.108402D+03  0.271187D+02 -0.442530D+02
      2   0.271187D+02 -0.168830D+02 -0.110262D+03
      3  -0.442530D+02 -0.110262D+03  0.335643D+02
 OR G Eigenvalues:  -121.7122  -102.4813   132.4731  Iso=    30.5735
 Eigenvectors:
   (1)   0.918046   0.148970   0.367422
   (2)  -0.336757   0.782095   0.524330
   (3)  -0.209250  -0.605091   0.768166
 w=    0.085645 a.u., Optical Rotation Beta=     30.5735 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     3559.96 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  232221 ScalPx= 1.43D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.65D-13 2.78D-09 XBig12= 1.00D+00 3.20D-01.
     30 vectors produced by pass  1 Test12= 1.65D-13 2.78D-09 XBig12= 4.28D-02 4.10D-02.
     30 vectors produced by pass  2 Test12= 1.65D-13 2.78D-09 XBig12= 5.87D-03 1.42D-02.
     30 vectors produced by pass  3 Test12= 1.65D-13 2.78D-09 XBig12= 3.17D-04 2.40D-03.
     30 vectors produced by pass  4 Test12= 1.65D-13 2.78D-09 XBig12= 1.75D-05 7.02D-04.
     30 vectors produced by pass  5 Test12= 1.65D-13 2.78D-09 XBig12= 5.55D-07 8.08D-05.
     30 vectors produced by pass  6 Test12= 1.65D-13 2.78D-09 XBig12= 2.81D-08 1.11D-05.
     30 vectors produced by pass  7 Test12= 1.65D-13 2.78D-09 XBig12= 4.89D-09 6.30D-06.
     30 vectors produced by pass  8 Test12= 1.65D-13 2.78D-09 XBig12= 7.36D-10 1.86D-06.
     30 vectors produced by pass  9 Test12= 1.65D-13 2.78D-09 XBig12= 1.51D-10 6.10D-07.
     23 vectors produced by pass 10 Test12= 1.65D-13 2.78D-09 XBig12= 7.54D-11 5.71D-07.
      8 vectors produced by pass 11 Test12= 1.65D-13 2.78D-09 XBig12= 1.55D-11 1.92D-07.
      6 vectors produced by pass 12 Test12= 1.65D-13 2.78D-09 XBig12= 2.68D-12 7.72D-08.
      4 vectors produced by pass 13 Test12= 1.65D-13 2.78D-09 XBig12= 9.22D-13 4.73D-08.
      4 vectors produced by pass 14 Test12= 1.65D-13 2.78D-09 XBig12= 1.67D-12 5.67D-08.
      4 vectors produced by pass 15 Test12= 1.65D-13 2.78D-09 XBig12= 2.08D-12 9.02D-08.
      4 vectors produced by pass 16 Test12= 1.65D-13 2.78D-09 XBig12= 1.59D-12 6.70D-08.
      4 vectors produced by pass 17 Test12= 1.65D-13 2.78D-09 XBig12= 6.78D-13 3.71D-08.
      4 vectors produced by pass 18 Test12= 1.65D-13 2.78D-09 XBig12= 1.03D-12 5.37D-08.
      4 vectors produced by pass 19 Test12= 1.65D-13 2.78D-09 XBig12= 5.22D-13 3.33D-08.
      4 vectors produced by pass 20 Test12= 1.65D-13 2.78D-09 XBig12= 1.12D-12 6.28D-08.
      2 vectors produced by pass 21 Test12= 1.65D-13 2.78D-09 XBig12= 3.37D-13 2.55D-08.
      2 vectors produced by pass 22 Test12= 1.65D-13 2.78D-09 XBig12= 1.13D-13 1.66D-08.
      2 vectors produced by pass 23 Test12= 1.65D-13 2.78D-09 XBig12= 1.06D-13 1.98D-08.
      2 vectors produced by pass 24 Test12= 1.65D-13 2.78D-09 XBig12= 8.47D-14 1.54D-08.
      2 vectors produced by pass 25 Test12= 1.65D-13 2.78D-09 XBig12= 8.17D-14 1.56D-08.
      2 vectors produced by pass 26 Test12= 1.65D-13 2.78D-09 XBig12= 8.72D-14 1.30D-08.
      2 vectors produced by pass 27 Test12= 1.65D-13 2.78D-09 XBig12= 7.00D-14 1.60D-08.
      2 vectors produced by pass 28 Test12= 1.65D-13 2.78D-09 XBig12= 5.39D-14 1.25D-08.
      2 vectors produced by pass 29 Test12= 1.65D-13 2.78D-09 XBig12= 5.88D-14 1.50D-08.
      2 vectors produced by pass 30 Test12= 1.65D-13 2.78D-09 XBig12= 6.30D-14 1.26D-08.
      2 vectors produced by pass 31 Test12= 1.65D-13 2.78D-09 XBig12= 5.79D-14 1.33D-08.
      2 vectors produced by pass 32 Test12= 1.65D-13 2.78D-09 XBig12= 5.42D-14 1.28D-08.
      2 vectors produced by pass 33 Test12= 1.65D-13 2.78D-09 XBig12= 4.15D-14 1.21D-08.
      2 vectors produced by pass 34 Test12= 1.65D-13 2.78D-09 XBig12= 3.18D-14 1.04D-08.
      2 vectors produced by pass 35 Test12= 1.65D-13 2.78D-09 XBig12= 3.35D-14 1.05D-08.
      2 vectors produced by pass 36 Test12= 1.65D-13 2.78D-09 XBig12= 3.16D-14 9.50D-09.
      2 vectors produced by pass 37 Test12= 1.65D-13 2.78D-09 XBig12= 3.18D-14 1.16D-08.
      2 vectors produced by pass 38 Test12= 1.65D-13 2.78D-09 XBig12= 2.50D-14 7.83D-09.
      2 vectors produced by pass 39 Test12= 1.65D-13 2.78D-09 XBig12= 1.89D-14 7.81D-09.
      2 vectors produced by pass 40 Test12= 1.65D-13 2.78D-09 XBig12= 2.16D-14 7.11D-09.
      2 vectors produced by pass 41 Test12= 1.65D-13 2.78D-09 XBig12= 2.17D-14 6.71D-09.
      2 vectors produced by pass 42 Test12= 1.65D-13 2.78D-09 XBig12= 1.95D-14 6.04D-09.
      2 vectors produced by pass 43 Test12= 1.65D-13 2.78D-09 XBig12= 1.69D-14 7.57D-09.
      2 vectors produced by pass 44 Test12= 1.65D-13 2.78D-09 XBig12= 2.00D-14 7.10D-09.
      2 vectors produced by pass 45 Test12= 1.65D-13 2.78D-09 XBig12= 2.02D-14 6.03D-09.
      2 vectors produced by pass 46 Test12= 1.65D-13 2.78D-09 XBig12= 1.32D-14 4.95D-09.
      2 vectors produced by pass 47 Test12= 1.65D-13 2.78D-09 XBig12= 1.06D-14 5.49D-09.
      2 vectors produced by pass 48 Test12= 1.65D-13 2.78D-09 XBig12= 8.47D-15 4.92D-09.
      2 vectors produced by pass 49 Test12= 1.65D-13 2.78D-09 XBig12= 1.05D-14 5.59D-09.
      2 vectors produced by pass 50 Test12= 1.65D-13 2.78D-09 XBig12= 9.64D-15 5.18D-09.
      2 vectors produced by pass 51 Test12= 1.65D-13 2.78D-09 XBig12= 1.02D-14 5.24D-09.
      2 vectors produced by pass 52 Test12= 1.65D-13 2.78D-09 XBig12= 9.95D-15 4.98D-09.
      2 vectors produced by pass 53 Test12= 1.65D-13 2.78D-09 XBig12= 1.04D-14 4.81D-09.
      2 vectors produced by pass 54 Test12= 1.65D-13 2.78D-09 XBig12= 9.69D-15 4.95D-09.
      2 vectors produced by pass 55 Test12= 1.65D-13 2.78D-09 XBig12= 9.98D-15 5.00D-09.
      2 vectors produced by pass 56 Test12= 1.65D-13 2.78D-09 XBig12= 9.47D-15 5.50D-09.
      2 vectors produced by pass 57 Test12= 1.65D-13 2.78D-09 XBig12= 1.00D-14 4.60D-09.
      2 vectors produced by pass 58 Test12= 1.65D-13 2.78D-09 XBig12= 9.06D-15 4.33D-09.
      1 vectors produced by pass 59 Test12= 1.65D-13 2.78D-09 XBig12= 6.53D-15 4.31D-09.
      1 vectors produced by pass 60 Test12= 1.65D-13 2.78D-09 XBig12= 5.93D-15 3.79D-09.
      1 vectors produced by pass 61 Test12= 1.65D-13 2.78D-09 XBig12= 7.90D-15 3.76D-09.
      1 vectors produced by pass 62 Test12= 1.65D-13 2.78D-09 XBig12= 9.92D-15 4.80D-09.
      1 vectors produced by pass 63 Test12= 1.65D-13 2.78D-09 XBig12= 7.93D-15 4.55D-09.
      1 vectors produced by pass 64 Test12= 1.65D-13 2.78D-09 XBig12= 6.83D-15 4.08D-09.
      1 vectors produced by pass 65 Test12= 1.65D-13 2.78D-09 XBig12= 6.78D-15 4.31D-09.
      1 vectors produced by pass 66 Test12= 1.65D-13 2.78D-09 XBig12= 8.45D-15 4.79D-09.
      1 vectors produced by pass 67 Test12= 1.65D-13 2.78D-09 XBig12= 8.28D-15 4.72D-09.
      1 vectors produced by pass 68 Test12= 1.65D-13 2.78D-09 XBig12= 9.07D-15 5.32D-09.
      1 vectors produced by pass 69 Test12= 1.65D-13 2.78D-09 XBig12= 8.44D-15 4.75D-09.
      1 vectors produced by pass 70 Test12= 1.65D-13 2.78D-09 XBig12= 7.25D-15 3.92D-09.
      1 vectors produced by pass 71 Test12= 1.65D-13 2.78D-09 XBig12= 6.88D-15 4.27D-09.
      1 vectors produced by pass 72 Test12= 1.65D-13 2.78D-09 XBig12= 5.57D-15 3.67D-09.
      1 vectors produced by pass 73 Test12= 1.65D-13 2.78D-09 XBig12= 6.30D-15 3.47D-09.
      1 vectors produced by pass 74 Test12= 1.65D-13 2.78D-09 XBig12= 7.85D-15 4.08D-09.
      1 vectors produced by pass 75 Test12= 1.65D-13 2.78D-09 XBig12= 6.76D-15 4.37D-09.
      1 vectors produced by pass 76 Test12= 1.65D-13 2.78D-09 XBig12= 7.35D-15 5.37D-09.
      1 vectors produced by pass 77 Test12= 1.65D-13 2.78D-09 XBig12= 7.49D-15 4.67D-09.
      1 vectors produced by pass 78 Test12= 1.65D-13 2.78D-09 XBig12= 5.90D-15 4.10D-09.
      1 vectors produced by pass 79 Test12= 1.65D-13 2.78D-09 XBig12= 6.29D-15 4.31D-09.
      1 vectors produced by pass 80 Test12= 1.65D-13 2.78D-09 XBig12= 6.59D-15 3.76D-09.
      1 vectors produced by pass 81 Test12= 1.65D-13 2.78D-09 XBig12= 7.34D-15 3.99D-09.
      1 vectors produced by pass 82 Test12= 1.65D-13 2.78D-09 XBig12= 6.48D-15 5.31D-09.
      1 vectors produced by pass 83 Test12= 1.65D-13 2.78D-09 XBig12= 6.05D-15 3.72D-09.
      1 vectors produced by pass 84 Test12= 1.65D-13 2.78D-09 XBig12= 5.48D-15 3.51D-09.
      1 vectors produced by pass 85 Test12= 1.65D-13 2.78D-09 XBig12= 6.16D-15 3.76D-09.
      1 vectors produced by pass 86 Test12= 1.65D-13 2.78D-09 XBig12= 5.87D-15 3.53D-09.
      1 vectors produced by pass 87 Test12= 1.65D-13 2.78D-09 XBig12= 6.68D-15 3.90D-09.
      1 vectors produced by pass 88 Test12= 1.65D-13 2.78D-09 XBig12= 5.31D-15 3.25D-09.
      1 vectors produced by pass 89 Test12= 1.65D-13 2.78D-09 XBig12= 4.90D-15 3.40D-09.
      1 vectors produced by pass 90 Test12= 1.65D-13 2.78D-09 XBig12= 5.12D-15 3.09D-09.
      1 vectors produced by pass 91 Test12= 1.65D-13 2.78D-09 XBig12= 4.26D-15 3.53D-09.
      1 vectors produced by pass 92 Test12= 1.65D-13 2.78D-09 XBig12= 3.62D-15 3.00D-09.
      1 vectors produced by pass 93 Test12= 1.65D-13 2.78D-09 XBig12= 4.74D-15 3.43D-09.
      1 vectors produced by pass 94 Test12= 1.65D-13 2.78D-09 XBig12= 4.27D-15 4.04D-09.
      1 vectors produced by pass 95 Test12= 1.65D-13 2.78D-09 XBig12= 5.10D-15 3.99D-09.
      1 vectors produced by pass 96 Test12= 1.65D-13 2.78D-09 XBig12= 5.61D-15 4.04D-09.
      1 vectors produced by pass 97 Test12= 1.65D-13 2.78D-09 XBig12= 5.11D-15 3.46D-09.
      1 vectors produced by pass 98 Test12= 1.65D-13 2.78D-09 XBig12= 4.06D-15 3.24D-09.
      1 vectors produced by pass 99 Test12= 1.65D-13 2.78D-09 XBig12= 4.83D-15 2.94D-09.
      1 vectors produced by pass100 Test12= 1.65D-13 2.78D-09 XBig12= 4.32D-15 3.49D-09.
      1 vectors produced by pass101 Test12= 1.65D-13 2.78D-09 XBig12= 5.17D-15 3.67D-09.
      1 vectors produced by pass102 Test12= 1.65D-13 2.78D-09 XBig12= 5.54D-15 3.84D-09.
      1 vectors produced by pass103 Test12= 1.65D-13 2.78D-09 XBig12= 4.74D-15 3.31D-09.
      1 vectors produced by pass104 Test12= 1.65D-13 2.78D-09 XBig12= 4.50D-15 4.16D-09.
      1 vectors produced by pass105 Test12= 1.65D-13 2.78D-09 XBig12= 4.35D-15 3.08D-09.
      1 vectors produced by pass106 Test12= 1.65D-13 2.78D-09 XBig12= 4.29D-15 2.82D-09.
      1 vectors produced by pass107 Test12= 1.65D-13 2.78D-09 XBig12= 4.45D-15 3.41D-09.
      1 vectors produced by pass108 Test12= 1.65D-13 2.78D-09 XBig12= 4.36D-15 3.24D-09.
      1 vectors produced by pass109 Test12= 1.65D-13 2.78D-09 XBig12= 3.72D-15 3.85D-09.
      1 vectors produced by pass110 Test12= 1.65D-13 2.78D-09 XBig12= 3.50D-15 2.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   497 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 2.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 2.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.02D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.438348D+03 -0.184831D+02  0.448074D+02
      2  -0.184831D+02  0.402464D+03  0.442095D+02
      3   0.448074D+02  0.442095D+02  0.238651D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.190266D+03 -0.279193D+02  0.139020D+03
      2  -0.112658D+03 -0.686022D+02 -0.495654D+02
      3   0.130826D+03  0.597463D+03 -0.213384D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.650246D+03  0.407995D+02 -0.306784D+03
      2   0.224362D+03  0.131607D+02 -0.173208D+02
      3   0.425884D+03 -0.539602D+02  0.324105D+03
      4   0.109563D+03 -0.354822D+03 -0.318708D+03
      5  -0.126383D+03 -0.188342D+03  0.604001D+02
      6  -0.297413D+03  0.988748D+02 -0.170866D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128018D+01  0.153844D+01 -0.104874D+00  0.730264D+00 -0.102966D+01
      2   0.153844D+01 -0.212285D+01  0.465349D+00 -0.102966D+01  0.205277D+01
      3  -0.104874D+00  0.465349D+00 -0.976911D+00 -0.462980D+00  0.206616D+00
                 6             7             8             9            10 
      1  -0.462980D+00 -0.234691D+00 -0.750880D-01 -0.589168D+00 -0.411446D+01
      2   0.206616D+00 -0.750880D-01 -0.409051D-01  0.806301D+00  0.261031D-02
      3   0.111760D+01 -0.589168D+00  0.806301D+00  0.253917D+00 -0.239352D+01
                11            12            13            14            15 
      1   0.261031D-02 -0.239352D+01 -0.207255D+01 -0.552887D+00 -0.141213D+01
      2  -0.702329D+00 -0.162087D+01 -0.552887D+00  0.257824D+01 -0.215922D+01
      3  -0.162087D+01 -0.709831D+01 -0.141213D+01 -0.215922D+01 -0.154243D+01
                16            17            18            19            20 
      1  -0.315896D+01 -0.312905D+00 -0.533180D+01  0.522073D+01 -0.651689D+00
      2  -0.312905D+00 -0.390143D+01  0.563285D+00 -0.651689D+00  0.323398D+01
      3  -0.533180D+01  0.563285D+00 -0.657625D+01  0.294659D+01  0.438206D-01
                21            22            23            24            25 
      1   0.294659D+01  0.227059D+01  0.184954D+01  0.166790D+01  0.327421D+01
      2   0.438206D-01  0.184954D+01  0.809795D+00  0.203930D+00 -0.117308D+01
      3   0.428915D+00  0.166790D+01  0.203930D+00 -0.165528D+00  0.358945D+01
                26            27            28            29            30 
      1  -0.117308D+01  0.358945D+01  0.816257D+00  0.338136D+00  0.146744D+01
      2   0.472104D+00 -0.146311D+01  0.338136D+00  0.357646D-01  0.884116D-01
      3  -0.146311D+01  0.965992D+01  0.146744D+01  0.884116D-01  0.174259D+01
                31            32            33            34            35 
      1   0.295691D+00  0.857228D+00  0.114128D+01  0.135122D+01  0.111156D+01
      2   0.857228D+00  0.228742D+01  0.309663D+01  0.111156D+01  0.209343D+01
      3   0.114128D+01  0.309663D+01  0.549885D+01  0.189109D+01  0.308701D+01
                36            37            38            39            40 
      1   0.189109D+01  0.400855D+01  0.132486D+01  0.110370D+01  0.716491D+01
      2   0.308701D+01  0.132486D+01  0.187694D+01  0.115936D+01 -0.112580D+01
      3   0.645410D+01  0.110370D+01  0.115936D+01  0.196219D+01  0.205353D+01
                41            42            43            44            45 
      1  -0.112580D+01  0.205353D+01  0.365949D+01 -0.320985D+01  0.461717D+01
      2   0.205533D+01 -0.310921D+00 -0.320985D+01  0.323037D+01 -0.245173D+01
      3  -0.310921D+00 -0.833275D+00  0.461717D+01 -0.245173D+01  0.849780D+01
                46            47            48            49            50 
      1   0.793263D+01 -0.134022D+01  0.595323D+01 -0.773804D+00  0.964504D+00
      2  -0.134022D+01  0.690928D+00 -0.125523D+01  0.964504D+00 -0.325301D+00
      3   0.595323D+01 -0.125523D+01  0.558989D+01  0.640482D-01  0.813022D+00
                51            52            53            54            55 
      1   0.640482D-01  0.547333D+01 -0.315870D+00  0.486532D+01 -0.863103D+00
      2   0.813022D+00 -0.315870D+00  0.438279D+00 -0.420231D+00  0.126187D+01
      3   0.830533D+00  0.486532D+01 -0.420231D+00  0.510077D+01 -0.334833D+01
                56            57            58            59            60 
      1   0.126187D+01 -0.334833D+01 -0.440376D+01  0.589767D+00 -0.475013D+01
      2  -0.109507D+01  0.157667D+01  0.589767D+00 -0.347323D+01  0.305154D+01
      3   0.157667D+01 -0.158695D+01 -0.475013D+01  0.305154D+01 -0.573287D+01
                61            62            63            64            65 
      1  -0.934083D+01  0.117219D+01 -0.503072D+01  0.526619D+01 -0.435685D+01
      2   0.117219D+01  0.900847D+00  0.392063D-01 -0.435685D+01  0.426638D+01
      3  -0.503072D+01  0.392063D-01 -0.528986D+01  0.105561D+01 -0.111593D+01
                66            67            68            69            70 
      1   0.105561D+01 -0.459154D+01  0.448504D+01 -0.445555D+00  0.431272D+00
      2  -0.111593D+01  0.448504D+01 -0.551832D+01  0.699655D+00  0.251075D-01
      3   0.709283D+00 -0.445555D+00  0.699655D+00 -0.602268D+00  0.568095D+00
                71            72            73            74            75 
      1   0.251075D-01  0.568095D+00  0.122395D+02 -0.289851D+01  0.106674D+02
      2  -0.629065D+00 -0.681463D+00 -0.289851D+01  0.132124D+01 -0.100793D+01
      3  -0.681463D+00  0.122640D+00  0.106674D+02 -0.100793D+01  0.100924D+02
                76            77            78            79            80 
      1  -0.165613D+02  0.293797D+01 -0.174886D+02 -0.196094D+01 -0.540470D-01
      2   0.293797D+01 -0.739804D+01 -0.852539D+00 -0.540470D-01 -0.880584D+00
      3  -0.174886D+02 -0.852539D+00 -0.199914D+02 -0.204612D+01 -0.269225D+01
                81            82            83            84            85 
      1  -0.204612D+01  0.168047D+02 -0.893429D+01  0.896461D+01  0.766506D+01
      2  -0.269225D+01 -0.893429D+01  0.147172D+02 -0.758317D+00 -0.184044D+01
      3  -0.501644D+01  0.896461D+01 -0.758317D+00  0.109467D+02  0.572283D+01
                86            87            88            89            90 
      1  -0.184044D+01  0.572283D+01  0.103482D+02 -0.560899D+01  0.123530D+02
      2  -0.131928D+00  0.240773D+01 -0.560899D+01  0.139972D+02 -0.366866D+01
      3   0.240773D+01  0.627182D+01  0.123530D+02 -0.366866D+01  0.131009D+02
                91            92            93            94            95 
      1  -0.216978D+02  0.444139D+01 -0.177688D+02  0.992684D+01  0.149761D+00
      2   0.444139D+01 -0.552182D+01  0.104422D+01  0.149761D+00  0.437051D+01
      3  -0.177688D+02  0.104422D+01 -0.174770D+02  0.121005D+02  0.139023D+01
                96            97            98            99           100 
      1   0.121005D+02 -0.422328D+01  0.302753D+01 -0.342729D+01  0.109881D+02
      2   0.139023D+01  0.302753D+01 -0.134107D+01  0.289631D+01  0.206779D+01
      3   0.140647D+02 -0.342729D+01  0.289631D+01 -0.241596D+01  0.932116D+01
               101           102           103           104           105 
      1   0.206779D+01  0.932116D+01  0.254795D+02 -0.208872D+02  0.144391D+02
      2  -0.421636D+01 -0.991400D-01 -0.208872D+02  0.376630D+02 -0.813405D+01
      3  -0.991400D-01  0.832261D+01  0.144391D+02 -0.813405D+01  0.934365D+01
               106           107           108           109           110 
      1   0.184942D+02 -0.952328D+01  0.130390D+02 -0.755100D+01 -0.493986D+01
      2  -0.952328D+01  0.149844D+02 -0.338477D+01 -0.493986D+01  0.684196D+01
      3   0.130390D+02 -0.338477D+01  0.113310D+02 -0.793222D+01  0.708118D+00
               111           112           113           114           115 
      1  -0.793222D+01 -0.282907D+02  0.245671D+02 -0.169670D+02 -0.151551D+02
      2   0.708118D+00  0.245671D+02 -0.430880D+02  0.104363D+02  0.861977D+01
      3  -0.509600D+01 -0.169670D+02  0.104363D+02 -0.109415D+02 -0.112344D+02
               116           117           118           119           120 
      1   0.861977D+01 -0.112344D+02 -0.212399D+02  0.173778D+02 -0.111546D+02
      2  -0.121979D+02  0.251171D+01  0.173778D+02 -0.283341D+02  0.727879D+01
      3   0.251171D+01 -0.987606D+01 -0.111546D+02  0.727879D+01 -0.817860D+01
               121           122           123           124           125 
      1   0.622603D+01 -0.117463D+02  0.386288D+01 -0.896996D+01  0.840732D+01
      2  -0.117463D+02  0.137112D+02 -0.388845D+01  0.840732D+01 -0.973217D+01
      3   0.386288D+01 -0.388845D+01  0.318075D+01 -0.632280D+01  0.173698D+01
               126           127           128           129           130 
      1  -0.632280D+01  0.193651D+02 -0.966430D+01  0.632596D+01  0.384906D+00
      2   0.173698D+01 -0.966430D+01  0.625677D+02 -0.460277D+01  0.142226D+02
      3  -0.106847D+02  0.632596D+01 -0.460277D+01  0.224924D+01 -0.746368D+00
               131           132           133           134           135 
      1   0.142226D+02 -0.746368D+00  0.589194D+01  0.941419D+00  0.160120D+01
      2   0.172162D+02  0.424603D+01  0.941419D+00  0.229640D+02 -0.180197D+00
      3   0.424603D+01 -0.128104D+00  0.160120D+01 -0.180197D+00  0.572288D+00
               136           137           138           139           140 
      1  -0.197725D+02  0.691937D+01 -0.556114D+01 -0.553101D+00 -0.816425D+01
      2   0.691937D+01 -0.621534D+02  0.538778D+01 -0.816425D+01 -0.139486D+02
      3  -0.556114D+01  0.538778D+01 -0.135710D+01 -0.984554D+00 -0.196563D+01
               141           142           143           144           145 
      1  -0.984554D+00 -0.458498D+01  0.158955D+01 -0.450629D+01 -0.981416D+01
      2  -0.196563D+01  0.158955D+01 -0.217162D+02  0.113811D+01  0.589123D+00
      3  -0.707217D+00 -0.450629D+01  0.113811D+01 -0.231594D+01 -0.407915D+01
               146           147           148           149           150 
      1   0.589123D+00 -0.407915D+01  0.100602D+02  0.535464D-01  0.868344D+01
      2  -0.106491D+02  0.127450D-01  0.535464D-01  0.337358D+02 -0.160344D+01
      3   0.127450D-01 -0.426582D+01  0.868344D+01 -0.160344D+01  0.664844D+01
               151           152           153           154           155 
      1   0.268830D+01  0.209544D+01 -0.273617D+01  0.162501D+02 -0.399238D+01
      2   0.209544D+01  0.508316D+01  0.351018D+00 -0.399238D+01  0.131928D+02
      3  -0.273617D+01  0.351018D+00 -0.401038D+01  0.121848D+02 -0.190822D+01
               156           157           158           159           160 
      1   0.121848D+02 -0.116517D+02 -0.504454D+00 -0.532211D+01  0.428025D+01
      2  -0.190822D+01 -0.504454D+00 -0.187485D+02  0.266111D+01 -0.595590D-01
      3   0.940662D+01 -0.532211D+01  0.266111D+01 -0.384521D+01  0.314919D+01
               161           162           163           164           165 
      1  -0.595590D-01  0.314919D+01  0.350547D+02  0.179677D+02 -0.162490D+01
      2   0.254173D+01 -0.471483D+01  0.179677D+02  0.280532D+02  0.582398D-01
      3  -0.471483D+01 -0.468416D+00 -0.162490D+01  0.582398D-01  0.879937D+00
               166           167           168           169           170 
      1  -0.156730D+02 -0.144608D+02 -0.536285D+00 -0.422121D+01 -0.452693D+01
      2  -0.144608D+02 -0.468921D+02 -0.245157D+01 -0.452693D+01 -0.132167D+02
      3  -0.536285D+00 -0.245157D+01 -0.308866D+00  0.685298D+00 -0.122589D+01
               171           172           173           174           175 
      1   0.685298D+00 -0.314208D+02 -0.162248D+02  0.141783D+01  0.208060D+02
      2  -0.122589D+01 -0.162248D+02 -0.254912D+02  0.761212D+00  0.199218D+02
      3  -0.304102D+00  0.141783D+01  0.761212D+00  0.510541D+00 -0.264171D+00
               176           177           178           179           180 
      1   0.199218D+02 -0.264171D+00  0.390223D+01  0.442249D+01 -0.196098D+01
      2   0.558953D+02  0.194380D+01  0.442249D+01  0.119168D+02  0.236352D+01
      3   0.194380D+01  0.312868D+00 -0.196098D+01  0.236352D+01  0.113977D+01
               181           182           183           184           185 
      1   0.146969D+02  0.810587D+01 -0.616640D-02  0.207039D+02  0.316049D+01
      2   0.810587D+01  0.982235D+01 -0.145170D+01  0.316049D+01  0.240321D+02
      3  -0.616640D-02 -0.145170D+01 -0.113557D+01  0.263097D+01 -0.333099D+01
               186           187           188           189           190 
      1   0.263097D+01  0.903706D+01  0.140012D+01 -0.267892D+01 -0.314908D+01
      2  -0.333099D+01  0.140012D+01  0.531717D+01  0.307171D+01 -0.396385D+01
      3   0.170497D+01 -0.267892D+01  0.307171D+01  0.622104D+00  0.169936D+01
               191           192           193           194           195 
      1  -0.396385D+01  0.169936D+01 -0.211218D+02  0.269419D+01  0.216131D+00
      2   0.394794D+01 -0.128792D+01  0.269419D+01 -0.353531D+02  0.399933D+01
      3  -0.128792D+01 -0.108052D+01  0.216131D+00  0.399933D+01 -0.553844D+00
               196           197           198           199           200 
      1  -0.384742D+01  0.151801D+01 -0.433363D+01 -0.166305D+02 -0.122184D+02
      2   0.151801D+01 -0.604904D+01 -0.826858D+00 -0.122184D+02 -0.870566D+01
      3  -0.433363D+01 -0.826858D+00 -0.210209D+01 -0.121850D+00  0.826266D+00
               201           202           203           204           205 
      1  -0.121850D+00 -0.401209D+02 -0.689486D+01  0.874278D+01 -0.172348D+02
      2   0.826266D+00 -0.689486D+01 -0.102265D+02 -0.424222D+00 -0.183471D+01
      3  -0.343240D-01  0.874278D+01 -0.424222D+00 -0.206323D+01  0.294924D+01
               206           207           208           209           210 
      1  -0.183471D+01  0.294924D+01 -0.263417D+02 -0.140689D+02  0.364720D+01
      2  -0.313147D+01 -0.115969D+01 -0.140689D+02 -0.317552D+02 -0.181297D+01
      3  -0.115969D+01 -0.161016D+01  0.364720D+01 -0.181297D+01 -0.359175D+01
               211           212           213           214           215 
      1  -0.131301D+02 -0.154076D+02  0.230741D+01 -0.185850D+01 -0.226308D+01
      2  -0.154076D+02 -0.334871D+02 -0.203526D+01 -0.226308D+01 -0.869529D+01
      3   0.230741D+01 -0.203526D+01 -0.753340D+00 -0.444024D+01  0.826112D+00
               216           217           218           219           220 
      1  -0.444024D+01  0.408968D+02  0.125163D+02 -0.785649D+01 -0.643668D+01
      2   0.826112D+00  0.125163D+02  0.263020D+02  0.136762D+01  0.355591D+00
      3   0.207323D+01 -0.785649D+01  0.136762D+01  0.376953D+01  0.182603D+01
               221           222           223           224           225 
      1   0.355591D+00  0.182603D+01 -0.459838D+01 -0.406525D+00  0.330861D+01
      2   0.720703D+01 -0.159975D+01 -0.406525D+00 -0.125861D+01  0.479297D+01
      3  -0.159975D+01  0.211747D+00  0.330861D+01  0.479297D+01  0.181570D+01
               226           227           228           229           230 
      1  -0.890328D+01  0.359309D+01  0.445950D+01  0.449118D+02  0.947855D+01
      2   0.359309D+01  0.787417D+00 -0.359062D+00  0.947855D+01  0.127364D+02
      3   0.445950D+01 -0.359062D+00 -0.154527D+01 -0.977781D+01  0.502801D+00
               231           232           233           234           235 
      1  -0.977781D+01  0.161543D+02  0.284962D+01 -0.424118D+01 -0.520964D+01
      2   0.502801D+00  0.284962D+01  0.272356D+01  0.164615D+01 -0.551880D+01
      3   0.211166D+01 -0.424118D+01  0.164615D+01  0.246042D+01 -0.773461D+00
               236           237           238           239           240 
      1  -0.551880D+01 -0.773461D+00  0.345848D+01  0.213975D+01 -0.309329D+00
      2  -0.524489D+01  0.370868D+00  0.213975D+01  0.289376D+01 -0.204838D+01
      3   0.370868D+00  0.304641D+00 -0.309329D+00 -0.204838D+01  0.606855D+00
               241           242           243           244           245 
      1   0.408150D+01  0.210706D+01  0.136137D+01  0.116331D+02  0.272178D+01
      2   0.210706D+01 -0.668089D+00  0.245901D+01  0.272178D+01  0.654564D+01
      3   0.136137D+01  0.245901D+01  0.208782D+01 -0.160100D+01  0.727913D+00
               246           247           248           249           250 
      1  -0.160100D+01  0.481601D+01 -0.366715D+01 -0.521392D+01  0.717101D+00
      2   0.727913D+00 -0.366715D+01 -0.253846D+01 -0.723797D+00 -0.371377D+01
      3   0.277271D+01 -0.521392D+01 -0.723797D+00  0.127164D+01  0.232969D+01
               251           252           253           254           255 
      1  -0.371377D+01  0.232969D+01  0.190174D+02  0.259547D+01 -0.457630D+01
      2  -0.405218D+01  0.161779D+01  0.259547D+01  0.364198D+01  0.558902D+00
      3   0.161779D+01 -0.889822D+00 -0.457630D+01  0.558902D+00  0.828526D+00
               256           257           258           259           260 
      1  -0.423458D+01  0.175872D+01  0.127377D+01 -0.500845D+01 -0.978115D+00
      2   0.175872D+01  0.224339D+01  0.387003D+00 -0.978115D+00  0.142777D+01
      3   0.127377D+01  0.387003D+00  0.864389D+00  0.379270D+01  0.325400D+00
               261           262           263           264           265 
      1   0.379270D+01 -0.234556D+02  0.108601D+01  0.761519D+01 -0.125964D+01
      2   0.325400D+00  0.108601D+01 -0.296788D+01 -0.183954D+01 -0.670128D+00
      3  -0.165360D+01  0.761519D+01 -0.183954D+01 -0.323867D+01  0.147048D+01
               266           267           268           269           270 
      1  -0.670128D+00  0.147048D+01  0.266926D+01  0.101161D+01 -0.163597D+01
      2  -0.350268D+01  0.940603D+00  0.101161D+01  0.290724D+01 -0.208760D+01
      3   0.940603D+00 -0.127555D+01 -0.163597D+01 -0.208760D+01 -0.830805D+00
               271           272           273           274           275 
      1   0.344546D+01 -0.428470D+01  0.349095D-01 -0.290752D+01  0.446267D+01
      2  -0.428470D+01  0.626581D+01 -0.514447D-01  0.446267D+01 -0.878262D+01
      3   0.349095D-01 -0.514447D-01  0.836627D+00  0.852690D+00 -0.103599D+01
               276           277           278           279           280 
      1   0.852690D+00  0.829538D+00  0.164453D+00  0.802701D+00 -0.951373D+00
      2  -0.103599D+01  0.164453D+00 -0.140474D+01 -0.651182D+00 -0.651939D+00
      3  -0.345909D+00  0.802701D+00 -0.651182D+00 -0.746360D-01 -0.114495D+01
               281           282           283           284           285 
      1  -0.651939D+00 -0.114495D+01 -0.205826D+00 -0.122681D+01 -0.334971D+00
      2  -0.187823D+01 -0.667943D+00 -0.122681D+01 -0.101159D+02 -0.472282D+01
      3  -0.667943D+00 -0.136084D+01 -0.334971D+00 -0.472282D+01 -0.315409D+01
               286           287           288           289           290 
      1  -0.938762D+00 -0.122292D+01 -0.593282D+00 -0.119897D+02 -0.314862D+01
      2  -0.122292D+01 -0.512095D+01 -0.354699D+01 -0.314862D+01 -0.134531D+01
      3  -0.593282D+00 -0.354699D+01 -0.222159D+01 -0.483801D+01 -0.110240D+01
               291           292           293           294           295 
      1  -0.483801D+01 -0.166031D+01 -0.214523D+01 -0.110128D+01 -0.452421D+01
      2  -0.110240D+01 -0.214523D+01 -0.140235D+00 -0.852179D+00 -0.141759D+01
      3  -0.286972D+01 -0.110128D+01 -0.852179D+00 -0.912241D+00 -0.211911D+01
               296           297           298           299           300 
      1  -0.141759D+01 -0.211911D+01 -0.139335D+01 -0.240596D+01 -0.104025D+01
      2  -0.679307D+00 -0.107456D+01 -0.240596D+01 -0.162059D+01 -0.167174D+01
      3  -0.107456D+01 -0.128818D+01 -0.104025D+01 -0.167174D+01 -0.101471D+01
               301           302           303           304           305 
      1  -0.225158D+01 -0.356347D+01 -0.190670D+01 -0.112200D+01 -0.252980D+01
      2  -0.356347D+01 -0.972783D+01 -0.467684D+01 -0.252980D+01 -0.468763D+01
      3  -0.190670D+01 -0.467684D+01 -0.307269D+01 -0.137713D+01 -0.262580D+01
               306           307           308           309           310 
      1  -0.137713D+01 -0.888878D+01  0.578629D+01  0.385883D+00  0.628844D+01
      2  -0.262580D+01  0.578629D+01 -0.323398D+01 -0.319301D-01 -0.500036D+01
      3  -0.230106D+01  0.385883D+00 -0.319301D-01 -0.658809D+00 -0.579070D+00
               311           312           313           314           315 
      1  -0.500036D+01 -0.579070D+00  0.797704D+00 -0.728633D+00 -0.614569D+00
      2   0.563968D+01  0.611200D+00 -0.728633D+00  0.134290D+01  0.357288D-01
      3   0.611200D+00  0.593389D+00 -0.614569D+00  0.357288D-01  0.188733D+00
               316           317           318           319           320 
      1  -0.152758D+02 -0.766750D+00 -0.314828D+01 -0.209184D+01 -0.150136D+01
      2  -0.766750D+00 -0.224129D+00 -0.142745D+00 -0.150136D+01 -0.128562D+01
      3  -0.314828D+01 -0.142745D+00 -0.151434D+01 -0.852796D+00 -0.515890D+00
               321           322           323           324           325 
      1  -0.852796D+00 -0.420480D+01 -0.596680D+00 -0.121845D+01 -0.660206D+01
      2  -0.515890D+00 -0.596680D+00 -0.195915D+00  0.277806D+00  0.468255D+01
      3  -0.375048D+00 -0.121845D+01  0.277806D+00 -0.655830D+00  0.150901D+01
               326           327           328           329           330 
      1   0.468255D+01  0.150901D+01  0.341341D+01 -0.532614D+01 -0.148978D+01
      2  -0.544908D+01 -0.130779D+01 -0.532614D+01  0.641184D+01  0.160084D+01
      3  -0.130779D+01 -0.995071D+00 -0.148978D+01  0.160084D+01  0.110285D+01
               331           332           333           334           335 
      1   0.100447D+01 -0.190867D+01 -0.262206D+00  0.118759D+01  0.183945D+01
      2  -0.190867D+01  0.983154D+00  0.109851D+01  0.183945D+01  0.249669D+01
      3  -0.262206D+00  0.109851D+01  0.386248D+00  0.257322D+00  0.532901D+00
               336           337           338           339           340 
      1   0.257322D+00  0.491369D+00  0.342755D+00  0.206804D+00 -0.267148D+00
      2   0.532901D+00  0.342755D+00  0.135776D+02  0.375643D+01  0.356369D-01
      3   0.317909D+00  0.206804D+00  0.375643D+01  0.184369D+01 -0.222143D+00
               341           342           343           344           345 
      1   0.356369D-01 -0.222143D+00  0.135230D+01  0.205031D+01  0.486478D+00
      2   0.460868D+01  0.138615D+01  0.205031D+01  0.278752D+01  0.595993D+00
      3   0.138615D+01  0.983728D+00  0.486478D+00  0.595993D+00  0.402145D+00
               346           347           348           349           350 
      1   0.156255D+01  0.341646D+01  0.102586D+01  0.655739D+00  0.913910D+00
      2   0.341646D+01  0.112046D+02  0.292382D+01  0.913910D+00  0.363977D+01
      3   0.102586D+01  0.292382D+01  0.157470D+01  0.320919D+00  0.144888D+01
               351           352           353           354           355 
      1   0.320919D+00  0.101629D+02  0.465668D+01 -0.337129D+00  0.329315D+01
      2   0.144888D+01  0.465668D+01  0.297769D+01 -0.139686D+00  0.265960D+01
      3   0.858341D+00 -0.337129D+00 -0.139686D+00  0.809650D+00  0.387333D+00
               356           357           358           359           360 
      1   0.265960D+01  0.387333D+00  0.150098D+00  0.444929D+00  0.259694D+00
      2   0.239910D+01  0.189753D+00  0.444929D+00  0.538919D+00  0.246520D+00
      3   0.189753D+00  0.242530D+00  0.259694D+00  0.246520D+00  0.200528D+00
               361           362           363           364           365 
      1   0.117686D+02 -0.215999D+01 -0.245646D+01  0.111527D+01  0.574347D+01
      2  -0.215999D+01  0.231017D+01  0.145303D+00  0.574347D+01 -0.282080D+01
      3  -0.245646D+01  0.145303D+00  0.262329D+01 -0.393854D+00 -0.285443D+01
               366           367           368           369           370 
      1  -0.393854D+00 -0.580601D+00  0.668290D+00  0.557529D+01 -0.156295D+01
      2  -0.285443D+01  0.668290D+00 -0.159533D+01 -0.117170D+01 -0.127212D+01
      3  -0.806218D+00  0.557529D+01 -0.117170D+01 -0.674892D+01  0.364688D+00
               371           372           373           374           375 
      1  -0.127212D+01  0.364688D+00 -0.107214D+01 -0.109625D+01  0.663594D+00
      2  -0.197221D+01  0.524803D+00 -0.109625D+01 -0.321621D+01  0.118018D+00
      3   0.524803D+00 -0.429621D+00  0.663594D+00  0.118018D+00 -0.128682D+01
               376           377           378 
      1   0.143588D+00 -0.659165D-01 -0.136478D+00
      2  -0.659165D-01 -0.916931D+00 -0.698652D+00
      3  -0.136478D+00 -0.698652D+00 -0.575180D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.690977D+01 -0.116782D+02  0.231877D+01 -0.613391D+01  0.128543D+02
      2   0.629154D+01 -0.847217D+01  0.311122D+01 -0.440714D+01  0.747310D+01
      3  -0.268687D+01  0.443800D+00  0.788061D+00  0.549324D+01 -0.530639D+01
                 6             7             8             9            10 
      1  -0.172392D+01  0.496081D-01  0.290781D+01  0.344448D+01 -0.153501D+02
      2  -0.403815D+00  0.640262D+00  0.382010D-01  0.246574D+01  0.916750D+01
      3   0.129046D+01 -0.187110D+01 -0.228823D+01 -0.245426D+01  0.232878D+02
                11            12            13            14            15 
      1   0.454892D+01 -0.302759D+02 -0.116525D+02  0.147088D+02 -0.168374D+02
      2   0.617644D+01 -0.269413D+01  0.335876D+01  0.714262D+01  0.244618D+01
      3  -0.120245D+02  0.314270D+02  0.189677D+02 -0.182759D+02  0.147547D+02
                16            17            18            19            20 
      1  -0.161430D+02 -0.529964D+01 -0.671072D+01  0.137300D+02  0.711019D+01
      2  -0.978788D+01  0.808802D+01  0.194873D+01 -0.133874D+01 -0.230112D+01
      3   0.235908D+02 -0.435844D+01  0.209316D+02 -0.232557D+02 -0.480455D-01
                21            22            23            24            25 
      1   0.161678D+02  0.121988D+02  0.104127D+02 -0.381464D+01  0.658822D+01
      2   0.460541D+01 -0.230320D+01 -0.782244D+01 -0.387206D+01 -0.627725D+01
      3  -0.258603D+02 -0.889228D+01 -0.234242D+02  0.198114D+00 -0.198366D+02
                26            27            28            29            30 
      1  -0.151684D+01  0.214236D+02  0.266835D+01 -0.181002D+01  0.194981D+01
      2   0.613806D+01  0.461519D+01  0.171719D+00 -0.155652D+01 -0.817799D+00
      3   0.127238D+02 -0.297299D+02 -0.319380D+01  0.143771D+01 -0.385302D+01
                31            32            33            34            35 
      1   0.380189D+01  0.135074D+02  0.166128D+02  0.704473D+01  0.158773D+02
      2  -0.320779D+00  0.239884D+01  0.648812D+01 -0.357792D+01  0.121056D+01
      3  -0.135995D+01 -0.797314D+01 -0.130827D+02 -0.300630D+01 -0.946737D+01
                36            37            38            39            40 
      1   0.172048D+02  0.139254D+02  0.532857D+01  0.368209D+01  0.836724D+01
      2   0.283538D+01 -0.660072D+01 -0.255878D+01  0.670650D+00 -0.132997D+02
      3  -0.100325D+02 -0.235355D+02 -0.145829D+02 -0.831139D+01 -0.298300D+02
                41            42            43            44            45 
      1  -0.713845D+01  0.657850D+01  0.755045D+01 -0.480866D-01  0.274160D+02
      2  -0.535951D+00 -0.270016D+00  0.109082D+01 -0.577337D+00  0.906871D+01
      3   0.779315D+01 -0.122064D+02 -0.194930D+02  0.243430D+02 -0.237385D+02
                46            47            48            49            50 
      1   0.867913D+01  0.831683D+00  0.793048D+01  0.262303D+01  0.857989D+00
      2  -0.100070D+02  0.459397D+00 -0.131419D+01  0.378005D+01 -0.127639D+01
      3  -0.161014D+02 -0.259890D+00 -0.115179D+02  0.159383D+00 -0.142574D+01
                51            52            53            54            55 
      1   0.435528D+01  0.106311D+02  0.236255D+01  0.100225D+02 -0.221348D+02
      2   0.309729D+01 -0.756919D+01  0.302285D+00 -0.234540D+01 -0.106272D+02
      3  -0.272796D+01 -0.155611D+02 -0.261295D+01 -0.133608D+02  0.146454D+02
                56            57            58            59            60 
      1   0.150862D+02 -0.157333D+02 -0.203939D+02  0.235448D+01 -0.212623D+02
      2   0.128720D+02  0.379718D+01  0.207574D+01  0.100210D+02 -0.198186D+01
      3  -0.249468D+02  0.189036D+02  0.274219D+02 -0.548383D+01  0.190647D+02
                61            62            63            64            65 
      1  -0.260463D+02  0.236170D+02 -0.269500D+02 -0.554247D+01  0.493463D+01
      2  -0.361076D+01  0.551721D+01 -0.166088D+02 -0.809128D+01  0.583810D+01
      3   0.551642D+02 -0.366112D+02  0.376480D+02 -0.874509D+01  0.244285D+01
                66            67            68            69            70 
      1   0.395366D+00  0.724990D+01 -0.868624D+01 -0.347488D+01  0.837434D+00
      2   0.316893D+00  0.907702D+01 -0.870716D+01 -0.234256D+01 -0.126930D+01
      3  -0.179470D+00  0.839729D+01 -0.239543D+01  0.759340D+00 -0.110134D+01
                71            72            73            74            75 
      1  -0.313162D+01 -0.146751D+01  0.487547D+02 -0.224043D+02  0.486228D+02
      2  -0.931672D+00 -0.149425D+01  0.169576D+02 -0.625913D+01  0.149827D+02
      3   0.344582D+01  0.454755D+00 -0.831897D+02  0.440669D+02 -0.743306D+02
                76            77            78            79            80 
      1  -0.752278D+02 -0.316231D+02 -0.923740D+02 -0.277858D+01 -0.229613D+02
      2  -0.637760D+00 -0.212570D+02 -0.807969D+01 -0.374440D+01 -0.129860D+02
      3   0.124503D+03  0.409249D+01  0.141749D+03  0.168518D+02  0.312532D+02
                81            82            83            84            85 
      1  -0.154904D+02  0.410945D+02 -0.175809D+01  0.453796D+02  0.178602D+02
      2  -0.994977D+01  0.174978D+02  0.197503D+01  0.125066D+02  0.556940D+01
      3   0.300466D+02 -0.136809D+03  0.776168D+02 -0.768202D+02 -0.548460D+02
                86            87            88            89            90 
      1   0.245169D+02  0.227818D+02  0.600507D+02 -0.165486D+01  0.685581D+02
      2   0.152972D+02  0.686666D+01 -0.295126D+01  0.819755D+01  0.309936D+01
      3  -0.914470D+01 -0.524509D+02 -0.867309D+02  0.448979D+02 -0.109195D+03
                91            92            93            94            95 
      1  -0.469277D+02 -0.129576D+02 -0.528071D+02  0.355885D+02  0.446089D+01
      2   0.249184D+02 -0.165106D+02  0.164684D+02 -0.754118D+00  0.124582D+01
      3   0.910112D+02 -0.272382D+02  0.813949D+02 -0.587831D+02  0.205232D+01
                96            97            98            99           100 
      1   0.423319D+02  0.237920D+01 -0.905558D+01  0.245710D+01  0.155007D+02
      2  -0.461165D+01  0.431841D+01 -0.108364D+02 -0.206776D+01 -0.641606D+01
      3  -0.664064D+02  0.144456D+01  0.186665D+02  0.561173D+01 -0.327882D+02
               101           102           103           104           105 
      1   0.740688D+01  0.187048D+02  0.592604D+02 -0.355755D+02  0.310046D+02
      2   0.121398D+02 -0.153780D+01  0.822735D+01 -0.800157D+00  0.169438D+01
      3  -0.405239D+02 -0.390273D+02 -0.158994D+03  0.188976D+03 -0.725077D+02
               106           107           108           109           110 
      1   0.346323D+02 -0.447075D+00  0.271438D+02 -0.261697D+02 -0.154290D+02
      2  -0.170475D+02  0.208082D+01 -0.173034D+02  0.248956D+01 -0.162075D+02
      3  -0.823405D+02  0.108653D+03 -0.541236D+02  0.577061D+02  0.473644D+02
               111           112           113           114           115 
      1  -0.231685D+02 -0.895841D+02  0.607591D+02 -0.508577D+02 -0.476425D+02
      2  -0.600698D+01 -0.161959D+02  0.208472D+02 -0.447100D+01 -0.231530D+02
      3   0.519954D+02  0.227584D+03 -0.292887D+03  0.121073D+03  0.112049D+03
               116           117           118           119           120 
      1   0.289879D+02 -0.343152D+02 -0.583905D+02  0.390233D+02 -0.389799D+02
      2   0.109570D+02 -0.744787D+01 -0.106894D+02  0.908507D+01 -0.300140D+01
      3  -0.936108D+02  0.659927D+02  0.178692D+03 -0.184758D+03  0.971271D+02
               121           122           123           124           125 
      1   0.258398D+02 -0.290813D+02  0.143933D+02 -0.345325D+02  0.164607D+02
      2   0.110826D+02 -0.147267D+02  0.421452D+01 -0.170076D+02  0.111282D+02
      3  -0.557263D+02  0.116298D+03 -0.301296D+02  0.652803D+02 -0.749183D+02
               126           127           128           129           130 
      1  -0.477522D+02  0.399766D+02 -0.666960D+02  0.136118D+02 -0.569538D+01
      2  -0.952665D+01  0.903758D+01 -0.324762D+02  0.330428D+01 -0.981143D+01
      3   0.495203D+02 -0.587750D+02  0.327840D+03 -0.220514D+02  0.755405D+02
               131           132           133           134           135 
      1  -0.154005D+02 -0.634642D+00  0.527500D+01 -0.558845D+01 -0.486636D+01
      2  -0.163692D+02 -0.194144D+01 -0.186020D+02 -0.137768D+02 -0.680318D+01
      3   0.729462D+02  0.200774D+02  0.238868D+02  0.126253D+03  0.380867D+01
               136           137           138           139           140 
      1  -0.419564D+02  0.847639D+02 -0.154977D+02  0.545517D+01  0.168989D+02
      2  -0.911324D+01  0.618645D+02 -0.443468D+01  0.201695D+02  0.193100D+02
      3   0.628682D+02 -0.433206D+03  0.336725D+02 -0.571943D+02 -0.878465D+02
               141           142           143           144           145 
      1   0.726286D+00 -0.110263D+02  0.530453D+02 -0.160078D+01 -0.151668D+02
      2   0.636387D+01 -0.183189D+00  0.266402D+02  0.156641D+01 -0.946121D+01
      3  -0.148850D+02 -0.436137D+01 -0.146510D+03  0.375464D+01  0.469585D+02
               146           147           148           149           150 
      1   0.466708D+01 -0.139933D+02  0.310378D+02 -0.629929D+02  0.225704D+02
      2   0.100338D+02  0.514955D+01 -0.777562D+01 -0.437033D+02 -0.561757D+01
      3  -0.675393D+02  0.173380D+02 -0.228230D+02  0.234699D+03 -0.285308D+02
               151           152           153           154           155 
      1  -0.118113D+02  0.106694D+02 -0.969780D+01  0.523655D+02 -0.200539D+02
      2   0.102471D+02 -0.699858D+01  0.727917D+01  0.185993D+02 -0.191784D+02
      3  -0.437037D+00  0.407759D+02  0.136912D+02 -0.114733D+03  0.101637D+03
               156           157           158           159           160 
      1   0.365816D+02 -0.198178D+02  0.288220D+02 -0.183403D+02  0.101385D+02
      2   0.496668D+01 -0.196110D+01  0.784111D+01  0.164248D+01 -0.911653D+01
      3  -0.679253D+02  0.419549D+02 -0.116426D+03  0.318325D+02 -0.418075D+02
               161           162           163           164           165 
      1  -0.858991D+01  0.868221D+01 -0.106781D+02 -0.356184D+02  0.104036D+01
      2   0.250215D+02  0.894620D+01 -0.102913D+02 -0.109366D+02 -0.187727D+01
      3   0.160588D+02 -0.499494D+02  0.140612D+03  0.147441D+03 -0.230405D-01
               166           167           168           169           170 
      1  -0.169826D+01  0.337061D+02  0.146112D+01 -0.648880D+01  0.356481D+02
      2   0.175049D+02  0.238766D+02  0.237774D+01 -0.175814D+02  0.125411D+02
      3  -0.108286D+03 -0.217030D+03 -0.169999D+02 -0.915880D+01 -0.794441D+02
               171           172           173           174           175 
      1  -0.438944D+01  0.205799D+02  0.352694D+02  0.269630D+01 -0.163655D+01
      2   0.239516D+01  0.387729D+02  0.238323D+02  0.627481D+00 -0.113623D+02
      3  -0.158184D+01 -0.214524D+03 -0.192195D+03 -0.888307D+00  0.151741D+03
               176           177           178           179           180 
      1  -0.612896D+02  0.355163D+01  0.956223D+01 -0.205701D+00  0.112009D+01
      2  -0.488049D+02 -0.287193D+01 -0.101658D+02 -0.219548D+02 -0.646683D+01
      3   0.346212D+03  0.100248D+02  0.125521D+02  0.836156D+02  0.377247D+01
               181           182           183           184           185 
      1  -0.170686D+02 -0.202127D+02  0.182571D+00 -0.322894D+01 -0.356279D+02
      2  -0.242215D+02 -0.832266D+01  0.377509D+01 -0.174613D+02 -0.164393D+02
      3   0.121030D+03  0.900053D+02 -0.460033D+01  0.762980D+02  0.176148D+03
               186           187           188           189           190 
      1  -0.141603D+01  0.123794D+02 -0.234709D+01 -0.307616D+01  0.853243D+01
      2  -0.626336D+01 -0.348162D+01 -0.368508D+02 -0.924357D+01  0.335108D+01
      3  -0.124503D+02  0.277111D+02  0.467503D+02  0.170802D+02 -0.437105D+02
               191           192           193           194           195 
      1  -0.105359D+02  0.271479D+01 -0.204958D+02  0.435677D+02 -0.526937D+01
      2  -0.680597D+01  0.762903D+01 -0.106979D+02  0.367137D+02 -0.613048D+00
      3   0.341965D+02 -0.834543D+01 -0.563634D+01 -0.262790D+03  0.263025D+02
               196           197           198           199           200 
      1   0.714783D+00  0.311907D+02  0.592165D+01  0.498791D+01  0.147019D+02
      2   0.168789D+02  0.202955D+02  0.105078D+02 -0.663705D+01 -0.532615D+01
      3  -0.626292D+01 -0.379043D+02 -0.145059D+02 -0.495743D+02 -0.365253D+02
               201           202           203           204           205 
      1   0.155678D+00 -0.279777D-02  0.106052D+02  0.667116D-01 -0.170179D+01
      2  -0.844493D+00  0.136728D+02  0.280317D+00 -0.159830D+01 -0.694175D+01
      3  -0.258431D+01 -0.183895D+03 -0.456675D+02  0.402303D+02 -0.816008D+02
               206           207           208           209           210 
      1   0.197429D+02  0.397607D+01  0.532657D+01  0.335979D+02  0.924042D+01
      2  -0.103019D+01  0.281736D+01  0.224390D+02  0.281185D+02  0.445191D+01
      3  -0.415099D+02  0.148933D+02 -0.183744D+03 -0.196902D+03  0.120619D+02
               211           212           213           214           215 
      1  -0.582773D+01  0.327341D+02 -0.261307D+01  0.291513D+02  0.167321D+02
      2   0.116858D+02  0.376015D+02  0.827658D+00  0.471730D+00 -0.360345D+01
      3  -0.108135D+03 -0.225118D+03  0.294484D+01 -0.235994D+02 -0.476596D+02
               216           217           218           219           220 
      1  -0.467124D+01 -0.532232D+01 -0.329823D+02 -0.563350D+01  0.461792D+01
      2   0.210005D+00 -0.336227D+02 -0.132810D+02  0.242943D+01  0.899204D+01
      3  -0.213080D+02  0.271622D+03  0.135802D+03 -0.419027D+02 -0.324804D+02
               221           222           223           224           225 
      1   0.616174D+01 -0.561845D+01 -0.136200D+02 -0.170715D+02 -0.927432D+01
      2  -0.627338D+01 -0.311033D+01 -0.192654D+02 -0.133786D+02 -0.686661D+01
      3   0.466863D+02  0.891401D+01 -0.320734D+02  0.625082D+01  0.383017D+02
               226           227           228           229           230 
      1   0.119457D+01  0.115021D+01 -0.125685D+01  0.669349D+01 -0.235014D+02
      2  -0.394351D+01 -0.152909D+02 -0.349133D+01 -0.298330D+02 -0.158825D+01
      3  -0.382136D+02  0.723719D+02  0.189905D+02  0.294129D+03  0.707898D+02
               231           232           233           234           235 
      1   0.135443D+01 -0.118653D+00  0.302700D+00 -0.408233D+01 -0.348652D+01
      2   0.745437D+01 -0.289121D+02 -0.485615D+01  0.586716D+01  0.102172D+02
      3  -0.652982D+02  0.974052D+02  0.187095D+02 -0.228726D+02 -0.587391D+02
               236           237           238           239           240 
      1   0.184672D+01  0.176500D+01  0.110445D+01  0.253378D+01 -0.391858D+01
      2   0.147008D+02 -0.153920D+01  0.173154D+01 -0.322365D+01  0.115372D+01
      3  -0.729600D+02  0.644608D+01  0.260336D+02  0.349427D+01 -0.214789D+01
               241           242           243           244           245 
      1  -0.769901D+01 -0.809293D+01 -0.777084D+01 -0.147421D+00 -0.520306D+01
      2  -0.183288D+02  0.341028D+01  0.950922D+01 -0.416762D+01 -0.391913D+01
      3   0.266303D+02  0.251111D+02 -0.124102D+01  0.593437D+02  0.232201D+02
               246           247           248           249           250 
      1  -0.813687D+01  0.136437D+02  0.212618D+01 -0.135132D+01 -0.131135D+02
      2   0.730526D+01 -0.116701D+00 -0.214275D+01 -0.354700D+01  0.487310D+01
      3  -0.750503D+01  0.384975D+01 -0.191696D+02 -0.828085D+01 -0.267089D+01
               251           252           253           254           255 
      1   0.702028D+01  0.728432D+01  0.714485D+01  0.146939D+01 -0.435414D+01
      2   0.751713D+01 -0.337066D+01 -0.215213D+02 -0.168778D+01 -0.146856D+00
      3  -0.186259D+02  0.160830D+02  0.126189D+03  0.228896D+02 -0.413832D+02
               256           257           258           259           260 
      1   0.438974D+01 -0.115849D+02 -0.460854D+01 -0.960495D+01  0.775250D+01
      2  -0.290865D+01  0.465842D+01  0.744834D+01 -0.124593D+02 -0.412394D+01
      3   0.654821D+01  0.746268D+01 -0.146130D+02 -0.190860D+02 -0.193071D+02
               261           262           263           264           265 
      1   0.807443D+01 -0.100212D+02  0.216308D+01  0.516407D+01 -0.393914D+01
      2   0.817048D+01  0.854117D+01  0.776617D+01  0.696278D+00  0.460408D+01
      3   0.141156D+02 -0.122057D+03 -0.258344D+02  0.385502D+02 -0.166530D+01
               266           267           268           269           270 
      1  -0.208279D+01  0.187668D+00  0.183145D+01  0.573712D+01  0.396629D+01
      2  -0.101241D+01 -0.348654D+01 -0.124595D+02 -0.456438D+01 -0.268708D+01
      3   0.171307D+02  0.600459D+01 -0.111782D+01 -0.502656D+01  0.721443D+01
               271           272           273           274           275 
      1   0.218791D+01 -0.222424D+01  0.593874D+01  0.360136D+01 -0.378648D+01
      2   0.124667D+01 -0.111902D+01  0.272527D+01 -0.257549D+00  0.106917D+01
      3  -0.177395D+02  0.171295D+02 -0.220666D+01  0.153629D+02 -0.193650D+02
               276           277           278           279           280 
      1  -0.230775D+01  0.253982D+01  0.316495D+00 -0.352071D+00 -0.547483D+01
      2  -0.103380D+01  0.931370D+00  0.199260D+00  0.170173D+00 -0.130121D+01
      3  -0.572940D+01 -0.849831D+01  0.453248D+00 -0.499178D+01  0.656442D+01
               281           282           283           284           285 
      1  -0.121257D+01 -0.674093D+01 -0.921312D+00 -0.117367D+02 -0.125699D+02
      2   0.303036D+00 -0.401395D+00 -0.112095D+01  0.154431D+01  0.199562D+01
      3  -0.270860D+01  0.663390D+01  0.885311D+00 -0.276986D+01 -0.250533D+01
               286           287           288           289           290 
      1  -0.759790D+00 -0.899870D+01 -0.637942D+01 -0.831727D+01  0.633638D+00
      2  -0.193304D+01  0.458762D+00  0.121205D+01  0.140859D+01  0.911275D+00
      3   0.675680D+01  0.285712D+01 -0.173992D+00  0.131251D+02 -0.322842D+01
               291           292           293           294           295 
      1  -0.568175D+01  0.933173D-01 -0.190093D+01 -0.147053D+01 -0.137270D+01
      2   0.729953D+01  0.377885D+01 -0.107157D+01  0.258871D+01 -0.758620D+00
      3   0.596966D+01 -0.636854D+01  0.749016D+01 -0.776689D+00  0.417568D+01
               296           297           298           299           300 
      1  -0.188087D+01 -0.601252D+00  0.660895D+00 -0.332738D+01 -0.941488D+00
      2   0.110846D+01  0.296834D+01  0.271904D+01  0.171923D+01  0.330555D+01
      3   0.105709D+01 -0.137071D+01 -0.662030D+01  0.302820D+01 -0.479532D+01
               301           302           303           304           305 
      1  -0.112314D+01  0.530104D+00 -0.521933D+01  0.234329D+00  0.162158D+01
      2   0.134924D+01  0.121442D+02  0.818737D+01  0.220316D+01  0.293335D+01
      3  -0.184311D+01 -0.266669D+02 -0.118245D+02 -0.521108D+01 -0.906674D+01
               306           307           308           309           310 
      1  -0.376677D+01 -0.340735D+01  0.402705D+00  0.265678D+01  0.320637D+01
      2   0.472505D+01 -0.370482D+01 -0.175255D+00  0.439068D+01  0.347628D+01
      3  -0.444283D+01  0.124299D+02 -0.544267D+01  0.704494D+00 -0.946681D+01
               311           312           313           314           315 
      1  -0.434193D+01 -0.347907D+01  0.303331D+00  0.286513D+00 -0.285229D+00
      2  -0.630086D+01 -0.472398D+01  0.249520D+00  0.136124D+01 -0.396013D+00
      3   0.224739D+02  0.301255D+01 -0.101586D+01  0.733664D+01 -0.212192D+01
               316           317           318           319           320 
      1   0.139404D+01  0.754087D+00  0.301490D+00  0.105326D+01  0.266634D+01
      2   0.692082D+01  0.128684D+00  0.867298D+01  0.410196D+01  0.411658D+01
      3  -0.157024D+02 -0.325591D+01 -0.397316D+01 -0.824456D+01 -0.117093D+02
               321           322           323           324           325 
      1   0.254592D+00  0.228869D+00  0.359426D+00 -0.616679D+00 -0.181223D+01
      2   0.271891D+01  0.401087D+00 -0.138614D+01  0.182307D+01  0.250388D+01
      3  -0.400275D+01 -0.711267D+01 -0.487951D+01  0.152044D+01 -0.169273D+02
               326           327           328           329           330 
      1   0.233567D+01  0.433724D+01  0.399818D+01 -0.111081D+01 -0.463325D+01
      2   0.423121D+00  0.344499D+01  0.177657D+01  0.237301D+00 -0.301661D+01
      3  -0.995162D+00  0.182226D+01 -0.104918D+01 -0.404046D+01 -0.197287D+01
               331           332           333           334           335 
      1  -0.254220D+01 -0.136397D+01 -0.139498D+01 -0.108213D+01 -0.136189D+01
      2  -0.113501D+01 -0.276357D+00 -0.151919D+01 -0.270864D+01 -0.255042D+01
      3  -0.192204D+01 -0.687545D+01  0.369624D+01  0.132284D+02  0.127406D+02
               336           337           338           339           340 
      1  -0.149910D+01 -0.112311D+01 -0.735131D+01 -0.858844D+01  0.281446D+01
      2  -0.885519D-01 -0.161117D+01 -0.695375D+01 -0.248669D+01  0.747157D+00
      3   0.143689D+01  0.520240D+01  0.253992D+02  0.892052D+01 -0.158882D+01
               341           342           343           344           345 
      1   0.149931D+01 -0.289275D+01 -0.158800D+01 -0.119746D+01 -0.161594D+01
      2  -0.116521D+01 -0.303024D+00  0.993504D+00  0.339650D-01  0.579476D+00
      3   0.785565D+01 -0.162438D+00  0.801390D-01  0.281137D+01  0.200244D+01
               346           347           348           349           350 
      1  -0.279889D+01 -0.711771D+01 -0.823212D+01 -0.751070D+00 -0.176948D+01
      2  -0.284226D-01  0.372776D+01  0.283144D+01 -0.557895D+00  0.627816D+00
      3   0.504815D+01 -0.199034D+01 -0.270489D+00  0.278193D+01 -0.327663D+01
               351           352           353           354           355 
      1  -0.296345D+01 -0.243025D+00 -0.250931D+00 -0.315250D+01 -0.249705D+01
      2   0.645190D+00 -0.103268D+01 -0.467710D+00  0.460702D+01  0.270966D+01
      3  -0.125038D+00  0.286569D+02  0.732628D+01 -0.144287D+01  0.475654D+01
               356           357           358           359           360 
      1  -0.133046D+01 -0.125245D+01  0.359685D+00  0.104211D-01 -0.518893D+00
      2   0.110478D+01  0.107435D+01 -0.880588D+00 -0.530551D+00  0.494877D+00
      3   0.280654D+01  0.188695D+01 -0.391785D+01  0.751786D+00  0.305252D+00
               361           362           363           364           365 
      1   0.345439D+01 -0.580948D+01 -0.134645D+01 -0.180635D+01  0.848801D+01
      2   0.576391D+01  0.116597D+01  0.161867D+02 -0.360617D+01 -0.609904D+01
      3   0.937255D+01 -0.324849D+02  0.131344D+01  0.592046D+01  0.287754D+02
               366           367           368           369           370 
      1  -0.409427D+01 -0.746177D+01  0.149324D+02  0.683188D+01  0.121929D+01
      2  -0.417535D+01 -0.149123D+01 -0.486107D+01 -0.112482D+02 -0.210685D+01
      3   0.610937D+01  0.921331D+01  0.156035D+02  0.145492D+02  0.318186D+01
               371           372           373           374           375 
      1   0.469729D+01 -0.723241D+00  0.151521D+01  0.789445D+01 -0.159658D+01
      2  -0.205037D+01 -0.482418D+00 -0.225344D+01 -0.354341D+01 -0.953146D+00
      3   0.462924D+01 -0.115190D+01  0.890302D+01  0.159472D+02 -0.295159D+01
               376           377           378 
      1   0.678889D+00  0.416116D+01  0.460254D+00
      2  -0.198325D+01 -0.185381D+01 -0.908799D-01
      3  -0.411024D+01  0.529717D+00  0.448996D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287935D+01 -0.387395D+01  0.241065D+01  0.153109D+01 -0.155767D-02
      2  -0.221394D+01  0.214735D+01  0.299970D+01  0.188695D+01 -0.186761D+01
      3  -0.665411D+00  0.172660D+01 -0.541035D+01 -0.341804D+01  0.186917D+01
      4   0.401168D+00 -0.827962D+00  0.735119D+00  0.177560D+00 -0.139377D+00
      5  -0.838126D+01  0.817886D+01  0.265508D+01  0.748775D+01 -0.875472D+01
      6   0.386385D+01 -0.580629D+01 -0.275402D+00 -0.313937D+01  0.706674D+01
                 6             7             8             9            10 
      1  -0.335294D+01  0.166722D+01 -0.353078D+01 -0.213180D+00 -0.137834D+02
      2  -0.466594D+01  0.149984D+01 -0.192029D+01 -0.196320D+01  0.161142D+02
      3   0.801888D+01 -0.316706D+01  0.545106D+01  0.217638D+01 -0.233076D+01
      4   0.803672D+00  0.161360D+01  0.582804D+00  0.413061D+00  0.234515D+02
      5  -0.421639D+01  0.170122D+01 -0.160549D+01 -0.456671D+01 -0.268965D+02
      6   0.286717D+01 -0.465835D+00  0.285934D+01  0.424958D+01  0.143650D+02
                11            12            13            14            15 
      1   0.141623D+02  0.110228D+02 -0.153103D+02  0.105744D+02 -0.935491D+01
      2  -0.145196D+00  0.326023D+02  0.188132D+02 -0.543633D+01  0.149221D+02
      3  -0.140171D+02 -0.436252D+02 -0.350292D+01 -0.513809D+01 -0.556724D+01
      4   0.970673D+00  0.945050D+01  0.909368D+01  0.173763D+02  0.890971D+01
      5   0.838047D+01  0.286044D+01 -0.144614D+02  0.122509D+01  0.602402D-01
      6  -0.710236D+01  0.169188D+02  0.139957D+02  0.526860D+01  0.124099D+02
                16            17            18            19            20 
      1  -0.143773D+02  0.100875D+02 -0.407746D+01  0.228319D+02 -0.200547D+02
      2   0.362761D+02 -0.978253D+01  0.276279D+02 -0.195427D+02  0.122370D+02
      3  -0.218988D+02 -0.304937D+00 -0.235504D+02 -0.328923D+01  0.781768D+01
      4   0.172758D+02  0.130223D+01  0.281104D+02 -0.286410D+02  0.679771D+01
      5  -0.141994D+02  0.176783D+02 -0.253531D+02  0.258887D+02 -0.233885D+02
      6   0.265015D+02 -0.118409D+02  0.223497D+02 -0.235839D+02  0.174621D+02
                21            22            23            24            25 
      1   0.153282D+02 -0.133625D+01  0.223260D+02  0.121839D+02  0.554681D+01
      2   0.252559D+01 -0.135515D+02 -0.137036D+02 -0.600674D+01 -0.205727D+02
      3  -0.178538D+02  0.148878D+02 -0.862239D+01 -0.617718D+01  0.150259D+02
      4  -0.210597D+02  0.147090D+02 -0.316612D+01  0.264889D+01 -0.177661D+02
      5   0.386550D+01  0.103151D+02  0.126213D+02  0.149772D+02  0.218711D+02
      6  -0.386996D+01  0.924911D+01 -0.122099D+02 -0.358354D+01 -0.216121D+02
                26            27            28            29            30 
      1  -0.185795D+01 -0.199808D+02 -0.189084D+01  0.347440D+00 -0.255651D+01
      2   0.123890D+02 -0.411195D+02 -0.819510D+01 -0.125559D+01 -0.989068D+01
      3  -0.105310D+02  0.611003D+02  0.100859D+02  0.908146D+00  0.124472D+02
      4  -0.289257D+01 -0.183638D+02  0.535804D+00  0.241733D+01  0.711164D+00
      5  -0.165324D+02  0.900542D+01  0.694918D+01  0.410118D+01  0.130792D+02
      6   0.314058D+01 -0.433262D+02  0.143118D+01  0.177046D+01 -0.186770D+01
                31            32            33            34            35 
      1  -0.381897D+01 -0.128016D+02 -0.228115D+02 -0.463240D+01 -0.110001D+02
      2  -0.592820D+01 -0.124471D+02 -0.261511D+02 -0.105291D+02 -0.151710D+02
      3   0.974716D+01  0.252487D+02  0.489627D+02  0.151615D+02  0.261711D+02
      4   0.426991D+01  0.743716D+01  0.912063D+01  0.375482D+01  0.573953D+01
      5   0.535512D+01  0.664768D+01  0.899966D+01  0.107457D+02  0.830821D+01
      6   0.675767D+01  0.177386D+02  0.198116D+02  0.636496D+01  0.122069D+02
                36            37            38            39            40 
      1  -0.252893D+02  0.346408D+00  0.131920D+02 -0.642210D+01  0.331420D+02
      2  -0.339509D+02 -0.449756D+01 -0.218091D+02 -0.720887D+01 -0.212925D+02
      3   0.592402D+02  0.415116D+01  0.861717D+01  0.136310D+02 -0.118495D+02
      4   0.961535D+01  0.356277D+01  0.673401D+01  0.683332D+01 -0.352660D+02
      5   0.178451D+02 -0.685898D+01  0.148195D+02 -0.145856D+01  0.185064D+02
      6   0.211711D+02  0.102557D+02 -0.277951D+01  0.860871D+01 -0.243279D+02
                41            42            43            44            45 
      1  -0.214965D+02  0.117312D+02 -0.170856D+02 -0.337568D+01 -0.411131D+02
      2   0.108715D+02  0.131578D+02  0.180131D+01  0.644633D+01 -0.133168D+02
      3   0.106250D+02 -0.248890D+02  0.152843D+02 -0.307065D+01  0.544298D+02
      4   0.915694D+01 -0.183975D+02 -0.304919D+02  0.176924D+02 -0.213064D+02
      5  -0.227664D+02 -0.312291D+01  0.545969D+01 -0.183867D+02  0.823238D+01
      6   0.191476D+02  0.303538D+01 -0.338635D+02  0.337807D+02 -0.426725D+02
                46            47            48            49            50 
      1   0.256810D+02 -0.933732D+00  0.956112D+01 -0.336713D+01  0.761268D+00
      2  -0.449792D+02  0.536220D+01 -0.362336D+02 -0.238690D+01 -0.335707D+01
      3   0.192981D+02 -0.442847D+01  0.266724D+02  0.575402D+01  0.259580D+01
      4  -0.251913D+02  0.892295D+01 -0.190089D+02  0.997590D+01 -0.393278D+01
      5   0.646427D+02 -0.103880D+02  0.530508D+02 -0.250755D+01  0.775601D+01
      6  -0.247829D+02  0.978729D+01 -0.237668D+02  0.790175D+01 -0.409001D+01
                51            52            53            54            55 
      1  -0.320361D+01  0.122575D+02  0.680430D+00  0.490923D+01  0.159866D+02
      2  -0.639274D+01 -0.368129D+02  0.160901D+01 -0.362597D+02 -0.515131D+01
      3   0.959635D+01  0.245554D+02 -0.228944D+01  0.313505D+02 -0.108353D+02
      4   0.671088D+01 -0.128036D+02  0.436549D+01 -0.118878D+02  0.196129D+02
      5   0.141155D+01  0.484099D+02 -0.474997D+01  0.472013D+02 -0.405733D+01
      6   0.544927D+01 -0.153337D+02  0.604166D+01 -0.164937D+02  0.171658D+02
                56            57            58            59            60 
      1   0.100888D+02  0.111304D+02  0.260034D+01 -0.128605D+02  0.151036D+02
      2  -0.811958D+01 -0.793918D+01  0.242828D+02 -0.722198D+00  0.531922D+01
      3  -0.196925D+01 -0.319123D+01 -0.268831D+02  0.135826D+02 -0.204228D+02
      4  -0.128562D+02  0.169492D+02  0.979144D+01  0.964011D+00  0.247101D+02
      5   0.135349D+02  0.669359D+01 -0.232042D+02  0.182578D+02 -0.188630D+02
      6  -0.223402D+02  0.908427D+01  0.264660D+02 -0.322480D+02  0.365918D+02
                61            62            63            64            65 
      1  -0.179871D+02  0.283078D+02  0.134510D+02  0.130670D+02 -0.413781D+01
      2   0.298684D+02 -0.301081D+02  0.123516D+02  0.115890D+02 -0.165303D+02
      3  -0.118813D+02  0.180029D+01 -0.258027D+02 -0.246560D+02  0.206681D+02
      4   0.374031D+02  0.248315D+01  0.177041D+02 -0.472512D+02  0.420408D+02
      5  -0.189500D+02  0.167963D+02 -0.819822D+01  0.155459D+02 -0.130597D+02
      6   0.268694D+02  0.815702D-01  0.131177D+02 -0.199398D+02  0.217890D+02
                66            67            68            69            70 
      1  -0.312846D+00 -0.581017D+01 -0.262013D+01  0.207522D+01  0.171593D+01
      2   0.250533D+01 -0.202886D+02  0.322225D+02 -0.377163D+01 -0.377152D+01
      3  -0.219248D+01  0.260988D+02 -0.296024D+02  0.169641D+01  0.205559D+01
      4  -0.935868D+01  0.441504D+02 -0.475583D+02  0.579859D+01 -0.591299D+00
      5   0.696560D+01 -0.943124D+01  0.956208D+01 -0.486988D+01  0.623803D+01
      6  -0.941611D+01  0.178965D+02 -0.225459D+02  0.753922D+01 -0.569369D+01
                71            72            73            74            75 
      1  -0.172819D+01 -0.177183D+00 -0.218091D+02 -0.119607D+02 -0.214745D+02
      2   0.709926D+01  0.302483D+01 -0.223056D+02  0.125097D+02 -0.233807D+02
      3  -0.537107D+01 -0.284765D+01  0.441147D+02 -0.549049D+00  0.448552D+02
      4  -0.269652D+01 -0.629910D+01 -0.487273D+02  0.943009D+01 -0.340161D+02
      5  -0.480270D+01  0.226420D+01  0.201680D+02 -0.137157D+02  0.162481D+02
      6   0.355687D+01 -0.256947D+01 -0.389450D+02  0.397367D+01 -0.309526D+02
                76            77            78            79            80 
      1   0.378898D+02 -0.374990D+02  0.225575D+02  0.279853D+01 -0.121708D+02
      2   0.411869D+02  0.580890D+02  0.808796D+02  0.973909D+01  0.253192D+02
      3  -0.790767D+02 -0.205900D+02 -0.103437D+03 -0.125376D+02 -0.131484D+02
      4   0.439548D+02 -0.280234D+02  0.432553D+02 -0.301207D+01 -0.712697D+01
      5  -0.390994D+02 -0.658871D+01 -0.401051D+02 -0.497900D+01 -0.124503D+02
      6   0.546025D+02 -0.164618D+01  0.633190D+02  0.155283D+01  0.171836D+02
                81            82            83            84            85 
      1  -0.772144D+01 -0.505028D+02  0.775506D+02 -0.882335D+01 -0.183911D+02
      2   0.399489D+02 -0.326086D+01 -0.734956D+02 -0.342588D+02 -0.110807D+02
      3  -0.322274D+02  0.537637D+02 -0.405502D+01  0.430821D+02  0.294718D+02
      4  -0.210383D+01 -0.416715D+02  0.184008D+02 -0.209703D+02 -0.237817D+02
      5  -0.179682D+02  0.115262D+02  0.105405D+02  0.239354D+02  0.103396D+02
      6   0.110777D+02 -0.205559D+02 -0.119355D+02 -0.430890D+02 -0.952217D+01
                86            87            88            89            90 
      1  -0.271198D+01  0.428561D+01 -0.470656D+02  0.784769D+02 -0.276537D+02
      2  -0.479934D+01 -0.471756D+02  0.215885D+01 -0.991977D+02 -0.251695D+02
      3   0.751131D+01  0.428900D+02  0.449068D+02  0.207208D+02  0.528232D+02
      4   0.294128D+02 -0.610258D+01 -0.148247D+02  0.147224D+02 -0.273369D+02
      5   0.744438D+01  0.173339D+02  0.276201D+02  0.777461D+01  0.209553D+02
      6  -0.208454D+02 -0.110926D+02 -0.444635D+02  0.255232D+02 -0.544494D+02
                91            92            93            94            95 
      1   0.641813D+02 -0.298295D+02  0.373583D+02 -0.537726D+01  0.256263D+01
      2   0.192302D+02  0.332119D+02  0.489722D+02 -0.483259D+02 -0.152714D+02
      3  -0.834115D+02 -0.338241D+01 -0.863305D+02  0.537032D+02  0.127087D+02
      4   0.590722D+02 -0.275997D+02  0.447554D+02 -0.347195D+02  0.531870D+00
      5  -0.346372D+02 -0.638880D+01 -0.290024D+02  0.256616D+02 -0.720367D+01
      6   0.525859D+02 -0.372038D+01  0.587943D+02 -0.466036D+02  0.985880D+00
                96            97            98            99           100 
      1  -0.679110D+01  0.330223D+02 -0.226013D+02  0.225204D+02 -0.394392D+02
      2  -0.589381D+02 -0.185449D+02  0.140840D+02 -0.727697D+01 -0.943644D+01
      3   0.657292D+02 -0.144774D+02  0.851729D+01 -0.152434D+02  0.488757D+02
      4  -0.415738D+02  0.834884D+01 -0.273788D+02  0.518954D+01 -0.302687D+02
      5   0.329078D+02 -0.354472D+00 -0.381936D+01 -0.464703D+01  0.253238D+01
      6  -0.469529D+02  0.449351D+01 -0.338605D+01  0.476882D+01 -0.250370D+02
               101           102           103           104           105 
      1  -0.119949D+02 -0.220441D+02 -0.111626D+03  0.149585D+03 -0.686179D+02
      2  -0.184442D+01 -0.211539D+02  0.520264D+02 -0.116253D+03  0.298467D+02
      3   0.138393D+02  0.431980D+02  0.595991D+02 -0.333315D+02  0.387711D+02
      4   0.393993D+02 -0.221121D+02 -0.585051D+02 -0.243126D+02 -0.436610D+02
      5   0.174345D+02  0.147746D+02 -0.217178D+01 -0.348657D+02 -0.359619D+01
      6  -0.880390D-01 -0.249139D+02 -0.542081D+02  0.158716D+02 -0.298122D+02
               106           107           108           109           110 
      1  -0.855770D+02  0.658162D+02 -0.463490D+02 -0.118984D+02  0.558330D+02
      2   0.268588D+02 -0.499188D+02 -0.532043D+01  0.488856D+02 -0.676613D+02
      3   0.587182D+02 -0.158974D+02  0.516694D+02 -0.369873D+02  0.118283D+02
      4  -0.424668D+02  0.100515D+02 -0.310411D+02  0.631670D+02  0.406225D+02
      5   0.554345D+01 -0.414235D+01 -0.167545D+01  0.149542D+02  0.185006D+02
      6  -0.386972D+02  0.550240D+01 -0.373049D+02  0.394999D+02 -0.104720D+02
               111           112           113           114           115 
      1   0.319117D+02  0.142558D+03 -0.181094D+03  0.772026D+02  0.600436D+02
      2  -0.332643D+01 -0.694117D+02  0.152502D+03 -0.185857D+02 -0.118892D+02
      3  -0.285852D+02 -0.731464D+02  0.285924D+02 -0.586169D+02 -0.481544D+02
      4   0.452883D+02  0.599533D+02 -0.104470D+02  0.368907D+02  0.454089D+02
      5   0.100670D+02 -0.623276D+01  0.241093D+02 -0.156957D+01  0.290361D+01
      6   0.222402D+02  0.524136D+02 -0.179427D+02  0.349869D+02  0.416492D+02
               116           117           118           119           120 
      1  -0.464103D+02  0.344174D+02  0.972807D+02 -0.137714D+03  0.434486D+02
      2   0.184730D+02 -0.252300D+01 -0.450041D+02  0.148160D+03  0.189781D+01
      3   0.279374D+02 -0.318944D+02 -0.522767D+02 -0.104459D+02 -0.453464D+02
      4  -0.654044D+01  0.412728D+02  0.497245D+02 -0.500577D+02  0.155476D+02
      5   0.248024D+02  0.100488D+01 -0.202582D+02 -0.947986D+01 -0.176539D+02
      6   0.325765D+01  0.359069D+02  0.248628D+02 -0.301482D+02  0.226476D+02
               121           122           123           124           125 
      1  -0.556219D+02  0.782311D+02 -0.143377D+02  0.482760D+02 -0.381927D+02
      2   0.492230D+02 -0.578215D+02  0.380740D+01 -0.353355D+02  0.326083D+02
      3   0.639892D+01 -0.204096D+02  0.105303D+02 -0.129405D+02  0.558435D+01
      4   0.991330D+01  0.294722D+02 -0.196468D+01  0.155151D+02 -0.392829D+02
      5   0.618323D+01 -0.832703D+01  0.668066D+01 -0.675074D+00 -0.538159D+01
      6  -0.113651D+02 -0.110705D+02 -0.169752D+02  0.239406D+02 -0.642072D+01
               126           127           128           129           130 
      1   0.116108D+02 -0.112144D+03  0.125328D+03 -0.356119D+02 -0.204508D+02
      2   0.203876D+01  0.726410D+02 -0.507544D+02  0.285255D+02  0.163663D+02
      3  -0.136496D+02  0.395029D+02 -0.745731D+02  0.708635D+01  0.408451D+01
      4   0.985831D+01 -0.807068D+01 -0.139616D+03 -0.779605D+01  0.525016D+01
      5  -0.170377D+02 -0.120555D+02 -0.901174D+02 -0.514617D+01 -0.944813D+01
      6   0.478998D+02 -0.164013D+02  0.652513D+00 -0.700714D+01  0.220362D+02
               131           132           133           134           135 
      1  -0.526113D+02  0.128514D+02 -0.322179D+02  0.212656D+02 -0.125034D+02
      2   0.568391D+02 -0.199383D+02  0.266961D+02  0.392597D+01  0.448037D+01
      3  -0.422787D+01  0.708688D+01  0.552189D+01 -0.251916D+02  0.802299D+01
      4  -0.445948D+02  0.137576D+02  0.614507D+01 -0.539551D+02  0.462296D+00
      5  -0.325910D+02  0.607435D+01 -0.113866D+02 -0.365243D+02 -0.847095D+01
      6  -0.102768D+02 -0.162133D+01  0.577047D+00 -0.521548D+00  0.318845D+00
               136           137           138           139           140 
      1   0.140907D+03 -0.131498D+03  0.367764D+02 -0.405374D+02  0.602006D+02
      2  -0.832255D+02  0.547286D+02 -0.167448D+02  0.316202D+02 -0.840207D+02
      3  -0.576815D+02  0.767690D+02 -0.200316D+02  0.891722D+01  0.238201D+02
      4  -0.106907D+02  0.129102D+03 -0.566179D+01  0.635953D+02  0.740034D+02
      5   0.998892D+01  0.921713D+02 -0.259348D+01  0.177503D+02  0.504914D+02
      6   0.566727D+01  0.386948D+01  0.779292D+01  0.244942D+02 -0.871839D+00
               141           142           143           144           145 
      1   0.316571D+00  0.580165D+01 -0.246365D+02  0.211198D+02  0.280386D+02
      2   0.816603D+00 -0.637358D+01 -0.448155D+01 -0.249573D+02  0.587356D+01
      3  -0.113317D+01  0.571931D+00  0.291180D+02  0.383753D+01 -0.339122D+02
      4   0.266417D+02  0.115633D+02  0.593633D+02  0.152511D+02  0.467531D+02
      5   0.102930D+02  0.313061D+02  0.488406D+02  0.140596D+02 -0.151824D+02
      6   0.717199D+01  0.180428D+02  0.195749D+01  0.619135D+00  0.148454D+02
               146           147           148           149           150 
      1  -0.279341D+02  0.268149D+01 -0.645914D+01  0.240032D+02 -0.339467D+02
      2   0.142797D+02 -0.121644D+00 -0.115316D+02  0.366897D+02  0.279639D+02
      3   0.136544D+02 -0.255985D+01  0.179907D+02 -0.606929D+02  0.598287D+01
      4   0.464902D+02  0.205186D+02 -0.632741D+02 -0.117694D+03 -0.429009D+02
      5   0.135004D+02  0.994955D+01 -0.345659D+02 -0.799388D+02 -0.273685D+02
      6   0.927761D+01  0.178159D+02 -0.466519D+02 -0.633710D+01 -0.254143D+02
               151           152           153           154           155 
      1  -0.223483D+02 -0.147073D+02  0.391955D+01 -0.453106D+02  0.155042D+02
      2  -0.111997D+02  0.231430D+02 -0.189241D+02 -0.877092D+01  0.428505D+02
      3   0.335480D+02 -0.843568D+01  0.150045D+02  0.540815D+02 -0.583547D+02
      4  -0.410701D+02 -0.261126D+02  0.246971D+01 -0.781587D+02 -0.451701D+02
      5   0.209142D+02 -0.210213D+02  0.207397D+02 -0.205804D+02 -0.525719D+02
      6   0.589139D+01  0.301165D+01  0.725042D+01 -0.526421D+02 -0.245765D+01
               156           157           158           159           160 
      1  -0.426587D+02  0.521433D+02 -0.103538D+02  0.365509D+02 -0.247567D+01
      2   0.201507D+02 -0.218457D+02 -0.152485D+01 -0.300559D+02 -0.207182D+02
      3   0.225080D+02 -0.302977D+02  0.118787D+02 -0.649493D+01  0.231939D+02
      4  -0.599169D+02  0.612068D+02  0.648106D+02  0.111580D+02 -0.310515D+02
      5  -0.259753D+02  0.159219D+02  0.216608D+02  0.139588D+02  0.405323D+01
      6  -0.366215D+02  0.151454D+02 -0.151543D+02  0.753077D+01 -0.170856D+02
               161           162           163           164           165 
      1  -0.114110D+02 -0.295267D+02 -0.920803D+02 -0.841964D+02 -0.406776D+01
      2  -0.127872D+02 -0.481150D+01  0.614449D+02  0.953604D+02  0.546861D+01
      3   0.241982D+02  0.343382D+02  0.306354D+02 -0.111640D+02 -0.140085D+01
      4  -0.299694D+02 -0.397632D+01  0.606749D+02 -0.167358D+02 -0.151551D+02
      5   0.118478D+02  0.121757D+02 -0.539321D+02 -0.592485D+02 -0.207151D+01
      6   0.205190D+02  0.321521D+01 -0.984620D+01  0.266518D+02  0.306691D+01
               166           167           168           169           170 
      1   0.830756D+02  0.432330D+02  0.155729D+01  0.251451D+02  0.124938D+02
      2  -0.626491D+02 -0.885102D+02  0.347534D+01 -0.206546D+02 -0.190218D+02
      3  -0.204265D+02  0.452772D+02 -0.503263D+01 -0.449050D+01  0.652800D+01
      4  -0.201276D+02  0.868146D+02 -0.979172D+01 -0.292923D+01  0.266318D+02
      5   0.318241D+02  0.727974D+02 -0.483852D+01  0.609482D+01  0.255579D+02
      6  -0.193862D+02 -0.878640D+01 -0.265196D+01 -0.149610D+01 -0.162546D+01
               171           172           173           174           175 
      1  -0.739852D+01  0.142714D+03  0.215242D+02 -0.445740D+01 -0.468257D+02
      2  -0.318621D+01 -0.907797D+02 -0.279602D+02  0.938840D+01  0.405509D+02
      3   0.105847D+02 -0.519341D+02  0.643597D+01 -0.493099D+01  0.627487D+01
      4   0.175344D+01 -0.845911D+02 -0.560073D+01 -0.715458D+01  0.425363D+01
      5   0.315150D+01  0.454156D+02  0.432610D+02 -0.750083D+01 -0.527894D+02
      6  -0.404884D+01 -0.172601D+02 -0.500521D+01 -0.389983D+01  0.143996D+01
               176           177           178           179           180 
      1  -0.104818D+03 -0.681281D+01  0.378583D+01 -0.259891D+02 -0.178428D+01
      2   0.163056D+03  0.135831D+02  0.621140D+01  0.418739D+02  0.223909D+01
      3  -0.582382D+02 -0.677028D+01 -0.999723D+01 -0.158849D+02 -0.454811D+00
      4  -0.103625D+03 -0.943820D+01 -0.762936D+01 -0.224920D+02 -0.198105D+02
      5  -0.104369D+03 -0.155329D+01  0.238814D+01 -0.390712D+02 -0.109515D+02
      6   0.430871D+02  0.298018D+01 -0.140925D+02  0.262703D+02  0.470059D+00
               181           182           183           184           185 
      1  -0.850571D+02  0.963092D+01  0.364153D+01 -0.138186D+03  0.272270D+02
      2   0.475537D+02 -0.162203D+02 -0.688976D+01  0.995095D+02 -0.207469D+02
      3   0.375034D+02  0.658939D+01  0.324823D+01  0.386767D+02 -0.648009D+01
      4   0.574294D+02  0.161253D+02  0.147031D+02  0.412892D+02 -0.250448D+02
      5  -0.274574D+02 -0.988962D+01  0.117722D+02 -0.349412D+02 -0.191704D+02
      6   0.176068D+02 -0.691764D+01 -0.166603D+01  0.250003D+02 -0.112619D+02
               186           187           188           189           190 
      1  -0.130708D+02 -0.700042D+02  0.241768D+02  0.165171D+02 -0.131115D+02
      2   0.512751D+01  0.494450D+02 -0.241360D+02 -0.145917D+02  0.577497D+01
      3   0.794326D+01  0.205592D+02 -0.408667D-01 -0.192538D+01  0.733657D+01
      4   0.301157D+02  0.143826D+02  0.126153D+02 -0.165246D+02  0.231717D+00
      5  -0.107419D+02  0.271049D+02 -0.479086D+02 -0.142061D+02 -0.131359D+02
      6   0.108252D+02 -0.305720D+01  0.160247D+02 -0.172805D+01  0.334637D+01
               191           192           193           194           195 
      1   0.446649D+02 -0.221627D+02  0.155736D+03 -0.961868D+02 -0.380337D+01
      2  -0.370552D+02  0.117732D+02 -0.983136D+02  0.680586D+02  0.121165D+02
      3  -0.760978D+01  0.103894D+02 -0.574227D+02  0.281283D+02 -0.831314D+01
      4   0.147702D+02  0.615529D+01 -0.767886D+02  0.558603D+02 -0.271060D+02
      5  -0.367107D+01  0.116943D+02 -0.151554D+02  0.395375D+02 -0.206248D+01
      6  -0.142255D+01  0.161628D+01 -0.188094D+02  0.750721D+01 -0.268712D+01
               196           197           198           199           200 
      1   0.771019D+01 -0.307944D+02  0.209444D+02  0.372694D+02  0.522278D+02
      2  -0.116479D+02  0.191759D+02 -0.224163D+02 -0.391642D+02 -0.514581D+02
      3   0.393775D+01  0.116184D+02  0.147188D+01  0.189489D+01 -0.769708D+00
      4  -0.428439D+02  0.706937D+01 -0.981001D+01 -0.294167D+02 -0.936559D+01
      5   0.467794D+02  0.223856D+02  0.214374D+02  0.263291D+02  0.356512D+02
      6  -0.156587D+02  0.207553D+01 -0.115388D+02  0.768973D+01 -0.179532D+02
               201           202           203           204           205 
      1  -0.342079D+01  0.233966D+01  0.300052D+02  0.922706D+01  0.145985D+01
      2  -0.157752D+01  0.224243D+02 -0.417144D+02 -0.173125D+02  0.110061D+02
      3   0.499831D+01 -0.247639D+02  0.117092D+02  0.808542D+01 -0.124660D+02
      4   0.125056D+02 -0.132083D+03 -0.258269D+02  0.280500D+02 -0.531770D+02
      5   0.431956D+01  0.451192D+02  0.778881D+01 -0.933249D+01  0.195702D+02
      6  -0.564852D+01  0.252666D+02 -0.770002D+01 -0.559219D+01  0.965083D+01
               206           207           208           209           210 
      1   0.752441D+01  0.316155D+01  0.990219D+01  0.113241D+03  0.161294D+02
      2  -0.747985D+01 -0.120575D+02 -0.134984D+02 -0.138851D+03 -0.126483D+02
      3  -0.445552D-01  0.889598D+01  0.359616D+01  0.256099D+02 -0.348104D+01
      4  -0.616354D+01  0.851307D+01 -0.453965D+02  0.280443D+02  0.194512D+02
      5  -0.911832D+00  0.115198D+00  0.460781D+02  0.497818D+02  0.937444D+01
      6  -0.577956D+00 -0.694381D+01  0.400595D+01 -0.348190D+02 -0.227531D+02
               211           212           213           214           215 
      1   0.112084D+02  0.802655D+02  0.535015D+01 -0.719167D+01  0.235848D+02
      2  -0.237189D+02 -0.118768D+03 -0.108388D+02  0.203843D+02 -0.422109D+02
      3   0.125106D+02  0.385021D+02  0.548865D+01 -0.131926D+02  0.186261D+02
      4   0.793389D+00  0.563857D+02  0.250017D+02 -0.460959D+01  0.256340D+02
      5   0.248303D+02  0.760206D+02  0.362967D+01  0.339872D+02  0.120332D+02
      6   0.155012D+02 -0.441016D+02 -0.472130D+01 -0.353517D+02  0.412878D+01
               216           217           218           219           220 
      1  -0.355501D+01  0.156005D+02 -0.844133D+02 -0.123779D+02 -0.212644D+02
      2  -0.306537D+01 -0.295283D+02  0.109025D+03  0.158338D+02  0.251631D+02
      3   0.662038D+01  0.139278D+02 -0.246116D+02 -0.345587D+01 -0.389873D+01
      4  -0.236109D+02  0.113609D+03 -0.438469D+02 -0.414483D+02 -0.109795D+02
      5  -0.816465D+01 -0.544985D+02 -0.567740D+02 -0.447473D+01  0.137993D+02
      6   0.806716D+01 -0.228978D+02  0.308026D+02  0.211254D+02  0.316167D+01
               221           222           223           224           225 
      1  -0.101181D+02  0.169273D+02 -0.113393D+02  0.101721D+02 -0.237881D+02
      2   0.188171D+02 -0.246818D+02  0.512997D+01 -0.355311D+02  0.126610D+02
      3  -0.869900D+01  0.775443D+01  0.620935D+01  0.253590D+02  0.111271D+02
      4  -0.235227D+02  0.593282D+01 -0.104236D+02  0.482887D+00  0.303272D+01
      5  -0.487683D+01 -0.493427D+01  0.520861D+01 -0.139890D+02 -0.106328D+02
      6  -0.230924D+02  0.172851D+01  0.206808D+02  0.404905D+02  0.154246D+02
               226           227           228           229           230 
      1  -0.684756D+02  0.134495D+02  0.120942D+02  0.922388D+01 -0.484503D+02
      2   0.670505D+02 -0.147538D+02 -0.144563D+02 -0.336212D+02  0.663413D+02
      3   0.142510D+01  0.130436D+01  0.236214D+01  0.243974D+02 -0.178910D+02
      4  -0.207640D+02  0.423874D+02  0.259070D+02  0.135875D+03  0.235988D+02
      5   0.178898D+02  0.133602D+02 -0.694159D+01 -0.562382D+02 -0.167992D+02
      6   0.167158D+02 -0.678581D+01 -0.488977D+01 -0.288330D+02  0.126325D+02
               231           232           233           234           235 
      1  -0.664645D+01  0.104951D+02 -0.654209D+01 -0.189977D+02  0.510823D+02
      2   0.250332D+02 -0.176758D+02  0.939301D+01  0.175974D+02 -0.443515D+02
      3  -0.183868D+02  0.718075D+01 -0.285092D+01  0.140036D+01 -0.673086D+01
      4  -0.310398D+02  0.478886D+02  0.661889D+01 -0.129911D+02 -0.345143D+02
      5   0.102898D+02 -0.222132D+02 -0.390928D+01  0.769482D+01 -0.416624D+01
      6   0.819131D+01 -0.121562D+02  0.173893D+02  0.848533D+01 -0.271650D+01
               236           237           238           239           240 
      1  -0.280968D+01 -0.136731D+02 -0.327176D+01  0.498461D+01  0.150838D+02
      2  -0.117211D+02  0.651134D+01  0.526668D+01 -0.773324D-02 -0.199195D+02
      3   0.145308D+02  0.716172D+01 -0.199492D+01 -0.497688D+01  0.483570D+01
      4  -0.661843D+02 -0.148822D+02  0.284548D+02  0.127903D+02 -0.942459D+01
      5  -0.127142D+02 -0.212339D+01  0.290039D+01 -0.849389D+01 -0.718323D+00
      6   0.988693D+01  0.828463D+00 -0.791101D+01 -0.239989D+02  0.434398D+01
               241           242           243           244           245 
      1  -0.933090D+01  0.185842D+02 -0.891169D+01 -0.656440D+01 -0.273432D+02
      2   0.580565D+01 -0.249329D+02  0.731745D+01 -0.321516D+01  0.346583D+02
      3   0.352525D+01  0.634866D+01  0.159424D+01  0.977957D+01 -0.731510D+01
      4   0.247345D+02  0.940659D+01  0.138066D+02  0.259548D+02  0.358349D+02
      5   0.903862D+01  0.111748D+02  0.954643D+01 -0.151471D+02  0.762279D+01
      6   0.704150D+01  0.196073D+02  0.111039D+02 -0.213863D+00  0.496429D+00
               246           247           248           249           250 
      1  -0.595408D+01  0.512704D+02 -0.208094D+02 -0.208516D+02  0.377011D+02
      2   0.999758D+01 -0.540472D+02  0.475248D+01  0.163054D+02 -0.367662D+02
      3  -0.404350D+01  0.277683D+01  0.160570D+02  0.454620D+01 -0.934841D+00
      4   0.506631D+01 -0.219777D+02 -0.494608D+02 -0.260799D+02 -0.193977D+02
      5   0.194941D+02 -0.413823D+02 -0.160674D+02  0.747424D+01  0.137559D+02
      6   0.108408D+02 -0.218593D+02 -0.209305D+01  0.591016D+01  0.164571D+02
               251           252           253           254           255 
      1   0.209098D+01 -0.756074D+01  0.606240D+01  0.204019D+02 -0.388536D+01
      2  -0.116915D+02  0.235751D+01 -0.141686D+02  0.380366D+01  0.458126D+01
      3   0.960055D+01  0.520324D+01  0.810618D+01 -0.242056D+02 -0.695905D+00
      4  -0.414984D+02  0.109977D+02  0.801083D+02  0.232837D+02 -0.865617D+01
      5   0.276470D+01 -0.527706D+01 -0.155058D+02  0.508080D+01 -0.503100D+01
      6   0.169886D+02 -0.938427D+01 -0.524293D+01  0.681505D+01  0.577701D+01
               256           257           258           259           260 
      1  -0.284976D+02  0.880951D+01  0.105249D+02 -0.401716D+01 -0.371735D+01
      2   0.348332D+02  0.647649D+00  0.217924D+01  0.139534D+02  0.573663D+01
      3  -0.633561D+01 -0.945716D+01 -0.127041D+02 -0.993620D+01 -0.201928D+01
      4  -0.139280D+00  0.502860D+02  0.173154D+02 -0.199775D+02  0.163108D+02
      5   0.584632D+01  0.170574D+02  0.120316D+02  0.153855D+02  0.759389D+01
      6   0.130453D+02 -0.411321D+01 -0.280927D+01  0.180941D+02  0.173606D+01
               261           262           263           264           265 
      1   0.440394D+01 -0.326496D+02 -0.124368D+02  0.104654D+02 -0.108524D+02
      2  -0.834719D+01  0.431345D+02 -0.382792D+01 -0.218316D+02  0.750845D+01
      3   0.394325D+01 -0.104849D+02  0.162647D+02  0.113662D+02  0.334398D+01
      4   0.138742D+02 -0.810129D+02 -0.316060D+02  0.474182D+01  0.129752D+02
      5  -0.252527D+01  0.362493D+02 -0.227859D+02 -0.148860D+02  0.147921D+02
      6  -0.120498D+02  0.461694D+01  0.364345D+01 -0.354732D+01 -0.244576D+01
               266           267           268           269           270 
      1   0.921994D+01  0.716656D+01 -0.118212D+01  0.938400D+01 -0.980913D+01
      2  -0.179643D+02 -0.699464D+01 -0.148027D+01 -0.542250D+01 -0.889745D+01
      3   0.874432D+01 -0.171923D+00  0.266238D+01 -0.396150D+01  0.187066D+02
      4  -0.102721D+02 -0.476033D+00  0.164623D+02  0.787739D+01 -0.867776D+01
      5   0.384492D+01 -0.960612D+01  0.236816D+01 -0.569258D+01  0.120485D+01
      6  -0.782687D+01  0.461999D+00 -0.214138D+01  0.986933D+00 -0.829260D+01
               271           272           273           274           275 
      1  -0.938126D+01  0.210409D+02 -0.152494D+01  0.155759D+02 -0.365894D+02
      2   0.302859D+02 -0.500632D+02 -0.638975D+00 -0.364064D+02  0.778132D+02
      3  -0.209047D+02  0.290223D+02  0.216392D+01  0.208305D+02 -0.412238D+02
      4  -0.332423D+02  0.426501D+02  0.204541D+01  0.303034D+02 -0.470927D+02
      5  -0.267787D+01  0.424745D+01  0.328992D+01  0.569438D+01 -0.770737D+01
      6  -0.329046D+01  0.512467D+01 -0.722758D+01 -0.391390D+01  0.248973D+01
               276           277           278           279           280 
      1  -0.419755D+01  0.201376D+01 -0.814572D+01 -0.219854D+01 -0.187480D+01
      2   0.635524D+01 -0.628670D+01  0.133752D+02  0.319507D+01  0.572803D+01
      3  -0.215769D+01  0.427294D+01 -0.522951D+01 -0.996529D+00 -0.385323D+01
      4  -0.544458D+01 -0.353285D+01 -0.795232D+00 -0.694322D+01  0.818831D+01
      5  -0.254257D+01  0.291981D+01 -0.397464D+01 -0.252193D+00  0.145307D+01
      6   0.531411D+01 -0.546301D+01  0.770487D+01  0.140980D+01  0.895616D+01
               281           282           283           284           285 
      1  -0.818008D+01 -0.314883D+01 -0.681779D+01 -0.592755D+02 -0.293234D+02
      2   0.118604D+02  0.495797D+01  0.100464D+02  0.938344D+02  0.394338D+02
      3  -0.368035D+01 -0.180914D+01 -0.322858D+01 -0.345589D+02 -0.101104D+02
      4   0.142669D+02  0.100740D+02  0.774429D+01  0.252002D+02  0.973713D+01
      5   0.381600D+01  0.270736D+01  0.174757D+01 -0.124600D+01 -0.155699D+00
      6   0.876632D+01  0.101042D+02  0.529331D+01  0.484084D+02  0.322551D+02
               286           287           288           289           290 
      1  -0.524903D+01 -0.312105D+02 -0.217324D+02  0.103018D+03  0.243869D+02
      2   0.111082D+02  0.439154D+02  0.261601D+02 -0.640915D+02 -0.129717D+02
      3  -0.585918D+01 -0.127050D+02 -0.442775D+01 -0.389270D+02 -0.114152D+02
      4   0.101775D+02  0.176877D+02  0.116296D+02  0.622359D+02  0.244056D+02
      5   0.184068D+01  0.164690D+01  0.328575D+01  0.546962D+02  0.136104D+02
      6   0.436437D+01  0.346727D+02  0.240503D+02  0.162526D+02  0.660484D+01
               291           292           293           294           295 
      1   0.363804D+02  0.662151D+01  0.149394D+02  0.445195D+01  0.343778D+02
      2  -0.275789D+02 -0.145889D+01 -0.588964D+01 -0.264694D+01 -0.213870D+02
      3  -0.880147D+01 -0.516262D+01 -0.904979D+01 -0.180501D+01 -0.129908D+02
      4   0.236403D+02  0.247239D+02  0.129977D+02  0.116725D+02  0.264789D+02
      5   0.318834D+02  0.118269D+02  0.677167D+01  0.765193D+01  0.249997D+02
      6   0.978763D+01  0.950901D+01  0.431257D+01  0.642330D+01  0.784496D+01
               296           297           298           299           300 
      1   0.816028D+01  0.158445D+02 -0.149263D+00  0.542311D+01 -0.790855D+00
      2  -0.480425D+01 -0.121080D+02  0.576334D+01  0.190354D+01  0.161827D+01
      3  -0.335603D+01 -0.373654D+01 -0.561408D+01 -0.732665D+01 -0.827416D+00
      4   0.919645D+01  0.124066D+02  0.197774D+02  0.258853D+02  0.148095D+02
      5   0.903872D+01  0.169216D+02  0.914190D+01  0.127660D+02  0.101930D+02
      6   0.511405D+01  0.556812D+01  0.104534D+02  0.131892D+02  0.857927D+01
               301           302           303           304           305 
      1  -0.566154D+01 -0.339387D+02 -0.165603D+02 -0.513948D+01 -0.101000D+02
      2   0.174157D+02  0.538562D+02  0.198062D+02  0.729524D+01  0.202408D+02
      3  -0.117542D+02 -0.199175D+02 -0.324591D+01 -0.215576D+01 -0.101407D+02
      4   0.335508D+02  0.675303D+02  0.325919D+02  0.208926D+02  0.384485D+02
      5   0.117862D+02  0.249834D+02  0.170413D+02  0.114351D+02  0.146673D+02
      6   0.187742D+02  0.495046D+02  0.304623D+02  0.137925D+02  0.271908D+02
               306           307           308           309           310 
      1  -0.920572D+01  0.754912D+02 -0.429454D+02 -0.392059D+01 -0.415857D+02
      2   0.933942D+01 -0.282223D+02  0.136965D+02  0.226362D+01  0.734962D+01
      3  -0.133693D+00 -0.472689D+02  0.292490D+02  0.165697D+01  0.342361D+02
      4   0.210443D+02 -0.742791D+02  0.502228D+02  0.188550D+01  0.642590D+02
      5   0.133891D+02 -0.999747D+01  0.212092D+01  0.848305D+01  0.934132D+01
      6   0.221628D+02 -0.116221D+01  0.192149D+01 -0.387071D+01 -0.752029D+00
               311           312           313           314           315 
      1   0.288742D+02  0.420946D+01 -0.570424D+01  0.210147D+01  0.273616D+01
      2   0.194527D+01 -0.197541D+01  0.138174D+01  0.158166D+01 -0.623993D+00
      3  -0.308195D+02 -0.223406D+01  0.432250D+01 -0.368313D+01 -0.211217D+01
      4  -0.599922D+02 -0.501512D+01  0.105240D+02 -0.114390D+02 -0.488828D+01
      5  -0.112999D+02 -0.802064D+01  0.742412D+01 -0.171743D+01 -0.124199D+01
      6   0.187517D+01  0.477196D+01 -0.337548D+01  0.186801D+01  0.190792D+01
               316           317           318           319           320 
      1   0.160004D+03  0.883417D+01  0.296995D+02  0.203558D+02  0.120107D+02
      2  -0.986598D+02 -0.562671D+01 -0.211451D+02 -0.141075D+02 -0.760210D+01
      3  -0.613441D+02 -0.320747D+01 -0.855442D+01 -0.624830D+01 -0.440858D+01
      4   0.954234D+00  0.747033D+01 -0.144460D+01  0.189539D+02  0.588113D+01
      5   0.408579D+02  0.144291D+01  0.201820D+02  0.105761D+02  0.813052D+01
      6  -0.650756D+01  0.875534D+00 -0.239084D+01  0.167524D+01 -0.268280D+00
               321           322           323           324           325 
      1   0.660258D+01  0.424544D+02  0.415621D+01  0.130409D+02  0.179745D+02
      2  -0.547772D+01 -0.290978D+02 -0.198941D+01 -0.944188D+01  0.120508D+02
      3  -0.112487D+01 -0.133566D+02 -0.216680D+01 -0.359907D+01 -0.300253D+02
      4   0.400464D+01  0.325803D+01  0.307266D+01  0.539799D+00 -0.675536D+02
      5   0.518482D+01  0.168957D+02 -0.195653D+01  0.823517D+01 -0.152239D+02
      6   0.105341D+01 -0.106160D+01  0.194891D+01  0.604404D+00  0.111573D+02
               326           327           328           329           330 
      1  -0.478733D+01 -0.276793D+01  0.469875D+01 -0.861045D+01 -0.237153D+01
      2  -0.224979D+02 -0.242718D+01 -0.279658D+02  0.409528D+02  0.772944D+01
      3   0.272852D+02  0.519511D+01  0.232670D+02 -0.323423D+02 -0.535791D+01
      4   0.599204D+02  0.160335D+02  0.510867D+02 -0.659191D+02 -0.166677D+02
      5   0.144170D+02  0.103002D+02  0.141460D+02 -0.129120D+02 -0.825600D+01
      6  -0.120059D+02 -0.910156D+01 -0.147595D+02  0.159131D+02  0.110264D+02
               331           332           333           334           335 
      1   0.876615D+00 -0.311520D+00  0.293439D+00 -0.812433D+01 -0.173114D+02
      2  -0.935891D+01  0.549661D+01  0.311504D+01  0.118805D+02  0.227160D+02
      3   0.848230D+01 -0.518509D+01 -0.340848D+01 -0.375621D+01 -0.540459D+01
      4   0.158290D+02 -0.161544D+02 -0.791646D+01  0.469891D+01  0.158506D+02
      5   0.596981D+01 -0.759212D+01 -0.507360D+01 -0.881019D+00  0.248059D+01
      6  -0.349954D+01  0.945082D+01  0.491206D+01  0.450331D+01  0.737088D+01
               336           337           338           339           340 
      1  -0.441168D+01 -0.360839D+01 -0.855570D+02 -0.241312D+02 -0.498364D+00
      2   0.509259D+01  0.375266D+01  0.127353D+03  0.305637D+02  0.270390D+01
      3  -0.680911D+00 -0.144266D+00 -0.417962D+02 -0.643251D+01 -0.220554D+01
      4   0.337843D+01  0.650085D+01 -0.133959D+02 -0.384933D+01  0.440063D+00
      5   0.215082D+01  0.113723D+01 -0.585818D+01 -0.335601D+01  0.290404D+01
      6   0.396299D+01  0.255865D+01  0.467554D+02  0.225906D+02 -0.263528D+01
               341           342           343           344           345 
      1  -0.286752D+02 -0.106243D+02 -0.397570D+01 -0.654290D+01 -0.126518D+01
      2   0.412208D+02  0.132878D+02  0.130783D+02  0.185263D+02  0.373845D+01
      3  -0.125456D+02 -0.266350D+01 -0.910257D+01 -0.119834D+02 -0.247327D+01
      4  -0.688026D+01 -0.135968D+01  0.147649D+02  0.265457D+02  0.650731D+01
      5  -0.125832D+01 -0.399617D+00  0.246586D+01  0.510390D+01  0.382923D+01
      6   0.184387D+02  0.115963D+02  0.503575D+01  0.461191D+01  0.307191D+01
               346           347           348           349           350 
      1  -0.139157D+02 -0.570205D+02 -0.150412D+02 -0.349065D+01 -0.197496D+02
      2   0.270800D+02  0.980060D+02  0.222846D+02  0.576042D+01  0.297895D+02
      3  -0.131643D+02 -0.409854D+02 -0.724336D+01 -0.226977D+01 -0.100400D+02
      4   0.227164D+02  0.519754D+02  0.140524D+02  0.689630D+01  0.154981D+02
      5   0.597605D+01  0.134467D+02  0.638206D+01  0.208288D+01  0.527483D+01
      6   0.905474D+01  0.277366D+02  0.164982D+02  0.462219D+01  0.151659D+02
               351           352           353           354           355 
      1  -0.898744D+01  0.505250D+02  0.184744D+02 -0.487208D+00  0.100133D+02
      2   0.118088D+02 -0.137690D+02  0.986168D+00  0.355608D+00  0.589131D+01
      3  -0.282133D+01 -0.367560D+02 -0.194605D+02  0.131601D+00 -0.159046D+02
      4   0.602411D+01  0.719016D+02  0.405084D+02 -0.161061D+01  0.328386D+02
      5   0.325129D+01 -0.244953D+01 -0.854137D+00  0.739738D+01  0.258360D+01
      6   0.935577D+01 -0.573705D+01 -0.358596D+01  0.529808D+01  0.554524D+00
               356           357           358           359           360 
      1   0.643175D+01  0.707761D+00 -0.190678D+01 -0.611308D+00  0.251653D+01
      2   0.725043D+01 -0.304178D+00  0.367505D+01  0.198823D+01 -0.816728D+00
      3  -0.136822D+02 -0.403583D+00 -0.176826D+01 -0.137693D+01 -0.169980D+01
      4   0.269424D+02  0.219623D+01  0.190521D+01  0.407150D+01  0.389860D+01
      5   0.128064D+01  0.193352D+01  0.361207D+01  0.259942D+01  0.109115D+01
      6  -0.135335D+01  0.180488D+01  0.169362D+01  0.203253D+01  0.859866D+00
               361           362           363           364           365 
      1   0.127195D+03 -0.160145D+02 -0.231973D+02 -0.127209D+02  0.202120D+02
      2  -0.767019D+02  0.925846D+01  0.199183D+02  0.757309D+01 -0.138391D+02
      3  -0.504936D+02  0.675605D+01  0.327908D+01  0.514779D+01 -0.637287D+01
      4  -0.129195D+02  0.343736D+02  0.571518D+01  0.653966D+02 -0.195566D+02
      5  -0.493320D+02  0.781893D+01  0.445028D+02  0.498668D+01 -0.273083D+02
      6   0.143302D+01 -0.955548D+01 -0.965847D+00 -0.224228D+02  0.603770D+01
               366           367           368           369           370 
      1  -0.272897D+00  0.112529D+01  0.886518D+00  0.349731D+01 -0.535296D+01
      2  -0.515370D+01  0.213761D+02 -0.403161D+01 -0.457225D+02  0.242237D+01
      3   0.542660D+01 -0.225014D+02  0.314509D+01  0.422252D+02  0.293059D+01
      4  -0.268722D+02  0.977007D+01 -0.149204D+02 -0.153821D+01 -0.293244D+01
      5  -0.102194D+02  0.627446D+02 -0.104734D+02 -0.521468D+02  0.534668D+01
      6   0.243045D+02 -0.771730D+00  0.177179D+02 -0.497325D+01  0.446776D+00
               371           372           373           374           375 
      1  -0.303724D+01  0.112071D+01 -0.634786D+01 -0.734125D+01 -0.640814D+00
      2  -0.337345D+00 -0.209760D+01  0.351715D+01 -0.101283D+01 -0.477368D+01
      3   0.337458D+01  0.976889D+00  0.283071D+01  0.835408D+01  0.541449D+01
      4  -0.194271D+01  0.105283D+01 -0.176720D+01 -0.433457D+01 -0.463268D+00
      5   0.551266D+01 -0.220851D+01  0.519417D+01  0.570891D+01 -0.426706D+01
      6  -0.442338D+00 -0.220496D+00 -0.747487D-01  0.170486D+01  0.906175D+00
               376           377           378 
      1   0.674729D+00  0.459916D-01 -0.484621D+01
      2   0.958221D-01 -0.373885D+01 -0.784093D+00
      3  -0.770552D+00  0.369286D+01  0.563031D+01
      4   0.193062D+01 -0.626185D+00 -0.148131D+01
      5  -0.170378D+00 -0.139736D+01  0.788496D+00
      6  -0.632713D+00  0.121069D+01  0.206167D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Jul 25 00:30:45 2021, MaxMem= 16106127360 cpu:          420430.4 elap:           26308.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -483.87105 -62.80501 -56.70356 -56.70067 -56.70063
 Alpha  occ. eigenvalues --  -10.50485 -10.46959 -10.46916 -10.46783 -10.46577
 Alpha  occ. eigenvalues --  -10.46376 -10.46290 -10.46233 -10.46041 -10.45872
 Alpha  occ. eigenvalues --  -10.45806 -10.45733 -10.45498 -10.45495 -10.45477
 Alpha  occ. eigenvalues --  -10.45421 -10.45408 -10.45312 -10.45255 -10.45165
 Alpha  occ. eigenvalues --  -10.44977 -10.44888 -10.44540 -10.44443 -10.44351
 Alpha  occ. eigenvalues --  -10.44265  -8.84811  -6.72483  -6.71495  -6.71482
 Alpha  occ. eigenvalues --   -2.84347  -2.84019  -2.84007  -2.83168  -2.83168
 Alpha  occ. eigenvalues --   -1.04639  -1.02689  -1.01026  -0.98842  -0.96616
 Alpha  occ. eigenvalues --   -0.94359  -0.93527  -0.92222  -0.90203  -0.88862
 Alpha  occ. eigenvalues --   -0.87383  -0.86315  -0.84674  -0.84086  -0.77711
 Alpha  occ. eigenvalues --   -0.77164  -0.75012  -0.74561  -0.74008  -0.73009
 Alpha  occ. eigenvalues --   -0.70299  -0.68517  -0.66255  -0.65624  -0.63935
 Alpha  occ. eigenvalues --   -0.63064  -0.62173  -0.60939  -0.59297  -0.58312
 Alpha  occ. eigenvalues --   -0.57266  -0.56895  -0.56062  -0.55506  -0.55007
 Alpha  occ. eigenvalues --   -0.54514  -0.53945  -0.53834  -0.53438  -0.52924
 Alpha  occ. eigenvalues --   -0.52019  -0.50623  -0.50162  -0.49463  -0.48650
 Alpha  occ. eigenvalues --   -0.48335  -0.47723  -0.46852  -0.45529  -0.45023
 Alpha  occ. eigenvalues --   -0.44584  -0.43199  -0.42788  -0.42007  -0.40251
 Alpha  occ. eigenvalues --   -0.40035  -0.38835  -0.38712  -0.35607  -0.32726
 Alpha  occ. eigenvalues --   -0.32403  -0.29791  -0.29656
 Alpha virt. eigenvalues --   -0.00769   0.00019   0.02726   0.02903   0.03063
 Alpha virt. eigenvalues --    0.04223   0.04665   0.05216   0.05860   0.06353
 Alpha virt. eigenvalues --    0.07011   0.07177   0.07570   0.07782   0.08237
 Alpha virt. eigenvalues --    0.09007   0.09069   0.09360   0.10123   0.10516
 Alpha virt. eigenvalues --    0.10758   0.11325   0.11590   0.11953   0.12641
 Alpha virt. eigenvalues --    0.12796   0.13820   0.14565   0.14804   0.15099
 Alpha virt. eigenvalues --    0.15547   0.15878   0.17091   0.17235   0.17635
 Alpha virt. eigenvalues --    0.18238   0.18915   0.19223   0.19802   0.20138
 Alpha virt. eigenvalues --    0.20499   0.20760   0.21173   0.21325   0.22085
 Alpha virt. eigenvalues --    0.22471   0.22681   0.23484   0.23776   0.23992
 Alpha virt. eigenvalues --    0.24037   0.24660   0.24672   0.24893   0.25126
 Alpha virt. eigenvalues --    0.25544   0.26116   0.26534   0.26706   0.27151
 Alpha virt. eigenvalues --    0.27451   0.27573   0.28552   0.28973   0.29030
 Alpha virt. eigenvalues --    0.29371   0.29713   0.29851   0.29995   0.30222
 Alpha virt. eigenvalues --    0.30505   0.30930   0.31488   0.31707   0.31827
 Alpha virt. eigenvalues --    0.32032   0.32120   0.32494   0.32647   0.32719
 Alpha virt. eigenvalues --    0.33109   0.33504   0.33796   0.34180   0.34626
 Alpha virt. eigenvalues --    0.34642   0.35206   0.35480   0.35547   0.35972
 Alpha virt. eigenvalues --    0.36124   0.36471   0.36693   0.36932   0.37170
 Alpha virt. eigenvalues --    0.37534   0.37660   0.37943   0.38265   0.38565
 Alpha virt. eigenvalues --    0.38775   0.39218   0.39541   0.39594   0.40010
 Alpha virt. eigenvalues --    0.40426   0.40508   0.40926   0.41281   0.41513
 Alpha virt. eigenvalues --    0.41696   0.41768   0.42070   0.42133   0.42416
 Alpha virt. eigenvalues --    0.42640   0.42817   0.43136   0.43401   0.43541
 Alpha virt. eigenvalues --    0.43654   0.43934   0.44071   0.44466   0.44535
 Alpha virt. eigenvalues --    0.44762   0.45076   0.45335   0.45409   0.45564
 Alpha virt. eigenvalues --    0.45774   0.46197   0.46528   0.46830   0.47129
 Alpha virt. eigenvalues --    0.47311   0.47521   0.47794   0.47901   0.48336
 Alpha virt. eigenvalues --    0.48466   0.48781   0.48874   0.49308   0.49348
 Alpha virt. eigenvalues --    0.49716   0.49855   0.50288   0.50391   0.50960
 Alpha virt. eigenvalues --    0.51347   0.51527   0.51994   0.52289   0.52400
 Alpha virt. eigenvalues --    0.52833   0.53092   0.53642   0.53838   0.53977
 Alpha virt. eigenvalues --    0.54363   0.54536   0.54665   0.55138   0.55570
 Alpha virt. eigenvalues --    0.56020   0.56124   0.56512   0.57243   0.57428
 Alpha virt. eigenvalues --    0.57583   0.57921   0.58655   0.59109   0.59362
 Alpha virt. eigenvalues --    0.59655   0.59768   0.60381   0.60544   0.60923
 Alpha virt. eigenvalues --    0.61375   0.61974   0.62229   0.63179   0.63260
 Alpha virt. eigenvalues --    0.63986   0.64241   0.64587   0.64937   0.65086
 Alpha virt. eigenvalues --    0.65578   0.65886   0.66033   0.66574   0.66904
 Alpha virt. eigenvalues --    0.67043   0.67159   0.67505   0.67992   0.68199
 Alpha virt. eigenvalues --    0.69007   0.69671   0.69682   0.69974   0.70584
 Alpha virt. eigenvalues --    0.70806   0.71059   0.71540   0.71746   0.72112
 Alpha virt. eigenvalues --    0.72540   0.73326   0.73492   0.73829   0.74279
 Alpha virt. eigenvalues --    0.74506   0.74808   0.75032   0.75219   0.75535
 Alpha virt. eigenvalues --    0.75706   0.76400   0.77213   0.77510   0.77781
 Alpha virt. eigenvalues --    0.78284   0.78537   0.79337   0.80200   0.80742
 Alpha virt. eigenvalues --    0.80845   0.81233   0.81515   0.81744   0.82453
 Alpha virt. eigenvalues --    0.82596   0.82909   0.83158   0.83221   0.84035
 Alpha virt. eigenvalues --    0.84486   0.84763   0.85184   0.85648   0.85985
 Alpha virt. eigenvalues --    0.86515   0.86817   0.87149   0.87762   0.87934
 Alpha virt. eigenvalues --    0.88881   0.89034   0.90033   0.90701   0.90992
 Alpha virt. eigenvalues --    0.91197   0.91456   0.92186   0.92755   0.93124
 Alpha virt. eigenvalues --    0.93368   0.93704   0.93968   0.94326   0.94951
 Alpha virt. eigenvalues --    0.95661   0.96030   0.96804   0.97421   0.98126
 Alpha virt. eigenvalues --    0.98538   0.99136   0.99487   1.00036   1.01235
 Alpha virt. eigenvalues --    1.01778   1.01839   1.03029   1.03675   1.03957
 Alpha virt. eigenvalues --    1.04438   1.04519   1.05262   1.05391   1.06192
 Alpha virt. eigenvalues --    1.06474   1.06791   1.06925   1.07482   1.07596
 Alpha virt. eigenvalues --    1.08431   1.09113   1.09686   1.10184   1.11319
 Alpha virt. eigenvalues --    1.11623   1.11738   1.12694   1.13348   1.13703
 Alpha virt. eigenvalues --    1.13953   1.14621   1.14826   1.15438   1.15695
 Alpha virt. eigenvalues --    1.16039   1.16613   1.16839   1.17641   1.18162
 Alpha virt. eigenvalues --    1.18402   1.19425   1.19638   1.20530   1.20806
 Alpha virt. eigenvalues --    1.21284   1.21393   1.21804   1.22538   1.23338
 Alpha virt. eigenvalues --    1.23590   1.23843   1.24427   1.24844   1.25171
 Alpha virt. eigenvalues --    1.25395   1.25823   1.26277   1.26721   1.27179
 Alpha virt. eigenvalues --    1.27976   1.28587   1.29577   1.30019   1.30637
 Alpha virt. eigenvalues --    1.30723   1.31743   1.31987   1.32356   1.32917
 Alpha virt. eigenvalues --    1.33053   1.34033   1.34730   1.35261   1.35672
 Alpha virt. eigenvalues --    1.35911   1.36637   1.37400   1.37945   1.39179
 Alpha virt. eigenvalues --    1.40095   1.40422   1.41303   1.41985   1.42274
 Alpha virt. eigenvalues --    1.43146   1.43684   1.43928   1.44716   1.45378
 Alpha virt. eigenvalues --    1.46342   1.46593   1.46943   1.48088   1.48757
 Alpha virt. eigenvalues --    1.50774   1.50798   1.51619   1.52393   1.53784
 Alpha virt. eigenvalues --    1.54034   1.55768   1.56338   1.57302   1.57847
 Alpha virt. eigenvalues --    1.58409   1.58842   1.59046   1.59862   1.61203
 Alpha virt. eigenvalues --    1.61930   1.63502   1.64047   1.64859   1.67178
 Alpha virt. eigenvalues --    1.67414   1.67578   1.68722   1.69135   1.70183
 Alpha virt. eigenvalues --    1.70335   1.71539   1.71800   1.72396   1.73259
 Alpha virt. eigenvalues --    1.73929   1.74722   1.74925   1.75607   1.76730
 Alpha virt. eigenvalues --    1.77529   1.79124   1.79427   1.80660   1.80935
 Alpha virt. eigenvalues --    1.82509   1.83267   1.84126   1.84708   1.85090
 Alpha virt. eigenvalues --    1.85551   1.86666   1.86828   1.87888   1.88689
 Alpha virt. eigenvalues --    1.89354   1.90446   1.91697   1.92334   1.93531
 Alpha virt. eigenvalues --    1.93992   1.94864   1.95585   1.96389   1.97347
 Alpha virt. eigenvalues --    1.97614   1.98437   1.98820   1.99645   1.99897
 Alpha virt. eigenvalues --    2.00711   2.01550   2.01797   2.03400   2.04449
 Alpha virt. eigenvalues --    2.04527   2.04936   2.05574   2.05947   2.06960
 Alpha virt. eigenvalues --    2.07712   2.07870   2.08591   2.09020   2.10159
 Alpha virt. eigenvalues --    2.10529   2.11390   2.12090   2.12703   2.13746
 Alpha virt. eigenvalues --    2.14122   2.14533   2.14884   2.15377   2.15668
 Alpha virt. eigenvalues --    2.16610   2.17367   2.17673   2.18186   2.18699
 Alpha virt. eigenvalues --    2.19137   2.20213   2.21173   2.22096   2.22681
 Alpha virt. eigenvalues --    2.23296   2.23669   2.24878   2.26120   2.27867
 Alpha virt. eigenvalues --    2.29013   2.29594   2.30199   2.30585   2.30963
 Alpha virt. eigenvalues --    2.32195   2.32889   2.33255   2.34090   2.35816
 Alpha virt. eigenvalues --    2.36002   2.37182   2.37766   2.39543   2.40255
 Alpha virt. eigenvalues --    2.41505   2.41964   2.43274   2.44117   2.44743
 Alpha virt. eigenvalues --    2.45350   2.46377   2.47330   2.48585   2.49586
 Alpha virt. eigenvalues --    2.50096   2.51667   2.52559   2.53036   2.53438
 Alpha virt. eigenvalues --    2.55075   2.55824   2.56274   2.56758   2.57594
 Alpha virt. eigenvalues --    2.58758   2.59651   2.60224   2.60390   2.61133
 Alpha virt. eigenvalues --    2.62302   2.62986   2.63846   2.64326   2.64734
 Alpha virt. eigenvalues --    2.65397   2.65847   2.66218   2.67375   2.68030
 Alpha virt. eigenvalues --    2.70004   2.73796   2.74234   2.76568   2.77577
 Alpha virt. eigenvalues --    2.79832   2.80642   2.87967   2.88483   2.89308
 Alpha virt. eigenvalues --    2.90140   2.91870   2.92307   2.93321   2.94510
 Alpha virt. eigenvalues --    2.95354   2.95471   2.97697   2.99194   3.01263
 Alpha virt. eigenvalues --    3.01916   3.02157   3.02590   3.02895   3.03201
 Alpha virt. eigenvalues --    3.03737   3.05595   3.06130   3.06638   3.08820
 Alpha virt. eigenvalues --    3.11696   3.13680   3.15033   3.16168   3.16586
 Alpha virt. eigenvalues --    3.17097   3.17981   3.19518   3.20379   3.20799
 Alpha virt. eigenvalues --    3.25056   3.29563   3.29761   3.32416   3.33244
 Alpha virt. eigenvalues --    3.35937   3.38594   3.57812   3.59110   3.64081
 Alpha virt. eigenvalues --    3.65539   3.71924   3.73644   3.75571   3.79740
 Alpha virt. eigenvalues --    3.79993   3.96473   4.17923
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    7.900928  -1.741858  -2.516848  -1.260852   0.130837   0.129984
     2  C   -1.741858  13.617938  -1.591019  -0.816920   0.939739   0.026795
     3  C   -2.516848  -1.591019  10.690130   0.766816  -1.388409  -1.033446
     4  H   -1.260852  -0.816920   0.766816   3.646588  -0.923282  -0.939460
     5  C    0.130837   0.939739  -1.388409  -0.923282   9.079460   0.458270
     6  H    0.129984   0.026795  -1.033446  -0.939460   0.458270   3.313438
     7  C    0.308015  -0.434125   0.624870  -0.008771  -0.815567  -0.791329
     8  H   -0.049596   0.322094   0.094837   0.107396  -1.569750  -0.915635
     9  C    0.440274  -0.396647  -0.578403   0.049628   0.696135   0.194182
    10  C   -0.025034   0.075707   0.112874  -0.017713   0.186851   0.053678
    11  C   -2.091759  -2.278771   0.917956  -0.090556  -0.711587   0.094767
    12  C   -0.212277  -1.393109   0.119726   0.012466   0.144273  -0.005999
    13  C   -0.057747   0.058275   0.013993   0.003396   0.025230  -0.003532
    14  C   -0.001521   0.000732   0.004348  -0.000189  -0.014915  -0.000625
    15  C   -0.644079  -0.669179   0.114637   0.027105   0.030413  -0.003443
    16  C    0.199824   0.218051  -0.015343  -0.001594  -0.001730   0.000077
    17  C    0.005752   0.017003  -0.000379  -0.000006  -0.000355  -0.000002
    18  C    0.008373   0.033195   0.001932  -0.000181  -0.001878   0.000089
    19  C    0.447969  -0.214795  -0.060687  -0.022503  -0.004304   0.001958
    20  C   -0.125595  -0.045039   0.000712  -0.000017   0.000712  -0.000037
    21  C   -0.007290   0.001441   0.000374   0.000010  -0.000004   0.000002
    22  C   -0.000365   0.007460  -0.000130   0.000024  -0.000002  -0.000001
    23  C   -0.479389   0.292744   0.028962  -0.014753  -0.007736   0.001297
    24  C    0.031390  -0.011120  -0.004849  -0.000842   0.000093   0.000005
    25  C    0.022248  -0.008850  -0.005813  -0.000780  -0.000011  -0.000005
    26  C    0.082075  -0.035616   0.024140   0.010586  -0.002745  -0.000776
    27  C   -0.007309   0.017604   0.002377  -0.004939  -0.001384   0.000231
    28  C   -0.007810   0.002096   0.015719   0.004568   0.000743   0.000563
    29  C    0.014209  -0.092139  -0.024878  -0.000131   0.006235  -0.001958
    30  C    0.180388  -0.031869  -0.059475  -0.001790  -0.004372   0.001556
    31  H    0.005084  -0.026407   0.022627  -0.001452   0.063006   0.008548
    32  H   -0.000728  -0.013126  -0.002635   0.000044   0.000221  -0.000058
    33  H   -0.001319  -0.005923   0.000094   0.000002   0.000006  -0.000000
    34  H    0.000672   0.007196  -0.000006  -0.000004  -0.000078   0.000001
    35  H    0.003345  -0.001125   0.000025   0.000001  -0.000000   0.000000
    36  H   -0.000389   0.001198  -0.000030  -0.000001   0.000000   0.000000
    37  H    0.000868  -0.000381  -0.000083  -0.000013  -0.000007  -0.000000
    38  H   -0.005987   0.003215   0.001565   0.000599  -0.000034  -0.000001
    39  H    0.004567  -0.003080  -0.001927  -0.000472   0.000231   0.000010
    40  H   -0.000720   0.002310   0.000100  -0.001406   0.001163   0.000376
    41  Br  -0.000015  -0.013109   0.001566   0.001136  -0.001785   0.001225
    42  H    0.004892   0.151770   0.007809   0.002592   0.000424  -0.000993
               7          8          9         10         11         12
     1  H    0.308015  -0.049596   0.440274  -0.025034  -2.091759  -0.212277
     2  C   -0.434125   0.322094  -0.396647   0.075707  -2.278771  -1.393109
     3  C    0.624870   0.094837  -0.578403   0.112874   0.917956   0.119726
     4  H   -0.008771   0.107396   0.049628  -0.017713  -0.090556   0.012466
     5  C   -0.815567  -1.569750   0.696135   0.186851  -0.711587   0.144273
     6  H   -0.791329  -0.915635   0.194182   0.053678   0.094767  -0.005999
     7  C   10.479420  -0.179610  -2.412515  -1.106967   0.349766   0.240793
     8  H   -0.179610   4.551910  -1.118106  -0.342884   0.522703  -0.101630
     9  C   -2.412515  -1.118106  18.855168  -1.371852  -6.797607   1.425947
    10  C   -1.106967  -0.342884  -1.371852  10.133433   0.335778  -1.327861
    11  C    0.349766   0.522703  -6.797607   0.335778  23.483349  -8.392810
    12  C    0.240793  -0.101630   1.425947  -1.327861  -8.392810  25.772318
    13  C    0.149387   0.018992  -2.394432   0.752253   1.031451  -4.266460
    14  C    0.236926   0.066967   0.271908  -1.153958  -0.342974   0.444684
    15  C    0.021615   0.006115  -0.272323   0.127744   1.688511  -7.805831
    16  C   -0.000539  -0.000178   0.065551   0.033447  -0.277449  -0.116022
    17  C   -0.001155  -0.000006   0.023861  -0.007316   0.098580  -0.910006
    18  C   -0.016336  -0.002129   0.362619   0.190512   0.017205   0.043668
    19  C   -0.004593  -0.001335   0.210587   0.009295  -1.442449   2.000288
    20  C    0.000678  -0.000004  -0.014819   0.000389   0.277076  -0.323555
    21  C    0.000003  -0.000002   0.000016  -0.000300   0.000515   0.079542
    22  C   -0.000031   0.000003   0.002100  -0.001582   0.039360   0.111161
    23  C   -0.008642   0.001344  -0.195420   0.002440   0.675470  -1.438975
    24  C   -0.000041   0.000002   0.000417  -0.000038  -0.027161   0.032244
    25  C    0.000106  -0.000007   0.000295  -0.000026  -0.011706   0.013274
    26  C   -0.001187   0.000190  -0.001671  -0.000054  -0.162384   0.206855
    27  C   -0.000536  -0.000021  -0.000554   0.000074  -0.012456  -0.007467
    28  C   -0.003084   0.000206   0.001636  -0.000134  -0.019006   0.002246
    29  C   -0.008748   0.000620   0.021309  -0.004126   0.029916  -0.001738
    30  C    0.039472  -0.005851   0.001894  -0.003724   0.276188  -0.279040
    31  H   -0.438482  -0.382564  -0.566425  -0.085224  -0.004546   0.064531
    32  H    0.030874   0.003759   0.035690  -0.845568   0.076642   0.374221
    33  H    0.000068   0.000001  -0.007215   0.000267  -0.012795   0.157586
    34  H   -0.001776  -0.000096   0.037265   0.033364  -0.005818  -0.017525
    35  H   -0.000001  -0.000000   0.000014   0.000006   0.000663  -0.018660
    36  H    0.000001  -0.000000   0.000124  -0.000065  -0.002122   0.002202
    37  H    0.000002   0.000000  -0.000024  -0.000001  -0.002309   0.003550
    38  H   -0.000004   0.000000   0.000017   0.000000   0.003210  -0.002984
    39  H    0.000027  -0.000003   0.000099  -0.000006   0.001395  -0.000914
    40  H   -0.000121  -0.000010  -0.000134   0.000017  -0.001846   0.001024
    41  Br   0.014418  -0.001553  -0.016595   0.003081   0.022347  -0.011514
    42  H   -0.017101   0.004588   0.076493   0.002060  -0.463112   0.428558
              13         14         15         16         17         18
     1  H   -0.057747  -0.001521  -0.644079   0.199824   0.005752   0.008373
     2  C    0.058275   0.000732  -0.669179   0.218051   0.017003   0.033195
     3  C    0.013993   0.004348   0.114637  -0.015343  -0.000379   0.001932
     4  H    0.003396  -0.000189   0.027105  -0.001594  -0.000006  -0.000181
     5  C    0.025230  -0.014915   0.030413  -0.001730  -0.000355  -0.001878
     6  H   -0.003532  -0.000625  -0.003443   0.000077  -0.000002   0.000089
     7  C    0.149387   0.236926   0.021615  -0.000539  -0.001155  -0.016336
     8  H    0.018992   0.066967   0.006115  -0.000178  -0.000006  -0.002129
     9  C   -2.394432   0.271908  -0.272323   0.065551   0.023861   0.362619
    10  C    0.752253  -1.153958   0.127744   0.033447  -0.007316   0.190512
    11  C    1.031451  -0.342974   1.688511  -0.277449   0.098580   0.017205
    12  C   -4.266460   0.444684  -7.805831  -0.116022  -0.910006   0.043668
    13  C   17.511770  -2.403856   0.636513  -2.267857   0.432817  -1.598040
    14  C   -2.403856  10.977871   0.103675   0.240253   0.155707  -1.317427
    15  C    0.636513   0.103675  23.988640  -4.220900   0.268935  -0.931217
    16  C   -2.267857   0.240253  -4.220900  18.427532  -1.561437   0.436286
    17  C    0.432817   0.155707   0.268935  -1.561437  10.160485  -1.108382
    18  C   -1.598040  -1.317427  -0.931217   0.436286  -1.108382  10.499761
    19  C   -0.261569   0.025862  -8.201436  -0.117624   0.052833   0.087950
    20  C    0.005278   0.003182   0.863342  -2.280782   0.310810   0.034322
    21  C    0.036151  -0.001317  -0.824204   0.418904   0.228479  -0.000976
    22  C    0.309799  -0.012798   0.136390  -1.518217  -1.301222   0.227361
    23  C    0.254845  -0.023113   1.501193  -0.247614   0.047862  -0.003135
    24  C    0.002486  -0.000003   0.013767   0.247837  -0.011805  -0.001129
    25  C    0.000094  -0.000031   0.108256   0.031175  -0.001473  -0.000285
    26  C   -0.011286   0.000176  -0.082461   0.061883   0.002511  -0.000145
    27  C    0.001000  -0.000053   0.024744   0.000947  -0.000027  -0.000008
    28  C    0.000539   0.000166   0.003762  -0.000203  -0.000017  -0.000043
    29  C   -0.003186  -0.001888   0.116984  -0.014792  -0.000830   0.000576
    30  C   -0.083614  -0.021117  -0.644041   0.225612   0.005667   0.000642
    31  H    0.269665  -1.026689  -0.003419  -0.004774   0.000363   0.031625
    32  H   -0.964100   0.175896  -0.089437   0.034032   0.047664  -0.325969
    33  H    0.046502   0.045710   0.320998  -1.048729   0.287226  -0.961670
    34  H   -0.624131  -0.394224   0.095925   0.171798  -0.830054   0.125293
    35  H   -0.003923   0.000008   0.128730   0.156544   0.024481  -0.000471
    36  H    0.038666  -0.001094   0.245393  -1.013225  -0.372755   0.036160
    37  H   -0.000130   0.000001  -0.104566   0.035594  -0.001211   0.000004
    38  H    0.000027   0.000000   0.004353  -0.005369   0.000067   0.000002
    39  H   -0.000043   0.000002   0.001614   0.000035   0.000000  -0.000000
    40  H    0.000013   0.000001  -0.001310   0.000025  -0.000000   0.000000
    41  Br   0.002074   0.003098   0.005523   0.000248   0.000071  -0.000394
    42  H   -0.066814   0.029434  -0.334747   0.126168  -0.001530  -0.005535
              19         20         21         22         23         24
     1  H    0.447969  -0.125595  -0.007290  -0.000365  -0.479389   0.031390
     2  C   -0.214795  -0.045039   0.001441   0.007460   0.292744  -0.011120
     3  C   -0.060687   0.000712   0.000374  -0.000130   0.028962  -0.004849
     4  H   -0.022503  -0.000017   0.000010   0.000024  -0.014753  -0.000842
     5  C   -0.004304   0.000712  -0.000004  -0.000002  -0.007736   0.000093
     6  H    0.001958  -0.000037   0.000002  -0.000001   0.001297   0.000005
     7  C   -0.004593   0.000678   0.000003  -0.000031  -0.008642  -0.000041
     8  H   -0.001335  -0.000004  -0.000002   0.000003   0.001344   0.000002
     9  C    0.210587  -0.014819   0.000016   0.002100  -0.195420   0.000417
    10  C    0.009295   0.000389  -0.000300  -0.001582   0.002440  -0.000038
    11  C   -1.442449   0.277076   0.000515   0.039360   0.675470  -0.027161
    12  C    2.000288  -0.323555   0.079542   0.111161  -1.438975   0.032244
    13  C   -0.261569   0.005278   0.036151   0.309799   0.254845   0.002486
    14  C    0.025862   0.003182  -0.001317  -0.012798  -0.023113  -0.000003
    15  C   -8.201436   0.863342  -0.824204   0.136390   1.501193   0.013767
    16  C   -0.117624  -2.280782   0.418904  -1.518217  -0.247614   0.247837
    17  C    0.052833   0.310810   0.228479  -1.301222   0.047862  -0.011805
    18  C    0.087950   0.034322  -0.000976   0.227361  -0.003135  -0.001129
    19  C   26.609993  -4.279428  -0.136397  -0.798368  -8.714567   0.606851
    20  C   -4.279428  17.392788  -1.536095   0.433776   0.941044  -2.339631
    21  C   -0.136397  -1.536095  10.418711  -1.081794   0.120287  -1.262889
    22  C   -0.798368   0.433776  -1.081794  10.118031   0.085669   0.136130
    23  C   -8.714567   0.941044   0.120287   0.085669  24.066635  -0.644781
    24  C    0.606851  -2.339631  -1.262889   0.136130  -0.644781  10.699699
    25  C   -1.275625   0.634843   0.143782  -0.008416   0.671226  -0.872904
    26  C    1.050313  -2.464715   0.303753   0.018613  -6.205485   0.334585
    27  C    0.325786   0.153931  -0.006765  -0.000755  -0.090690   0.158671
    28  C    0.081111   0.037070  -0.000782  -0.000225  -0.885760  -0.001778
    29  C    0.491620   0.036524   0.000042  -0.000593   0.692762   0.004810
    30  C   -1.524906   0.116853   0.014584   0.002283  -2.642294   0.030390
    31  H   -0.002562   0.000008   0.000004   0.000058   0.002311   0.000000
    32  H    0.004099  -0.000087  -0.000003  -0.001389  -0.002165   0.000002
    33  H   -0.018994   0.041711   0.032196  -0.379241  -0.000953  -0.000964
    34  H   -0.016581  -0.004408  -0.000381   0.027947   0.000132   0.000001
    35  H   -0.034439  -0.624778   0.122045  -0.794775  -0.004333  -0.369000
    36  H    0.204115   0.040503  -0.905096   0.243794  -0.014493   0.040619
    37  H    0.365747  -0.920629  -0.282754   0.037042   0.029230   0.042491
    38  H    0.064249   0.278680   0.022803   0.000899   0.183624  -0.851209
    39  H   -0.104846   0.017824  -0.000892  -0.000014   0.299024   0.022580
    40  H   -0.004845  -0.003538   0.000019   0.000003   0.099047   0.001109
    41  Br  -0.003398   0.000896  -0.000151  -0.000099   0.033919  -0.000184
    42  H   -0.253091  -0.071066   0.005298   0.000674  -1.387150  -0.003832
              25         26         27         28         29         30
     1  H    0.022248   0.082075  -0.007309  -0.007810   0.014209   0.180388
     2  C   -0.008850  -0.035616   0.017604   0.002096  -0.092139  -0.031869
     3  C   -0.005813   0.024140   0.002377   0.015719  -0.024878  -0.059475
     4  H   -0.000780   0.010586  -0.004939   0.004568  -0.000131  -0.001790
     5  C   -0.000011  -0.002745  -0.001384   0.000743   0.006235  -0.004372
     6  H   -0.000005  -0.000776   0.000231   0.000563  -0.001958   0.001556
     7  C    0.000106  -0.001187  -0.000536  -0.003084  -0.008748   0.039472
     8  H   -0.000007   0.000190  -0.000021   0.000206   0.000620  -0.005851
     9  C    0.000295  -0.001671  -0.000554   0.001636   0.021309   0.001894
    10  C   -0.000026  -0.000054   0.000074  -0.000134  -0.004126  -0.003724
    11  C   -0.011706  -0.162384  -0.012456  -0.019006   0.029916   0.276188
    12  C    0.013274   0.206855  -0.007467   0.002246  -0.001738  -0.279040
    13  C    0.000094  -0.011286   0.001000   0.000539  -0.003186  -0.083614
    14  C   -0.000031   0.000176  -0.000053   0.000166  -0.001888  -0.021117
    15  C    0.108256  -0.082461   0.024744   0.003762   0.116984  -0.644041
    16  C    0.031175   0.061883   0.000947  -0.000203  -0.014792   0.225612
    17  C   -0.001473   0.002511  -0.000027  -0.000017  -0.000830   0.005667
    18  C   -0.000285  -0.000145  -0.000008  -0.000043   0.000576   0.000642
    19  C   -1.275625   1.050313   0.325786   0.081111   0.491620  -1.524906
    20  C    0.634843  -2.464715   0.153931   0.037070   0.036524   0.116853
    21  C    0.143782   0.303753  -0.006765  -0.000782   0.000042   0.014584
    22  C   -0.008416   0.018613  -0.000755  -0.000225  -0.000593   0.002283
    23  C    0.671226  -6.205485  -0.090690  -0.885760   0.692762  -2.642294
    24  C   -0.872904   0.334585   0.158671  -0.001778   0.004810   0.030390
    25  C    9.748825  -1.541026  -0.765274   0.074390   0.030744   0.130364
    26  C   -1.541026  19.176320  -2.261115   0.581760  -1.184935  -0.504249
    27  C   -0.765274  -2.261115  10.038189  -0.315210   0.330203  -0.439679
    28  C    0.074390   0.581760  -0.315210   9.291354  -2.159879  -0.328299
    29  C    0.030744  -1.184935   0.330203  -2.159879  15.556907  -4.148118
    30  C    0.130364  -0.504249  -0.439679  -0.328299  -4.148118  15.747796
    31  H    0.000001   0.000037  -0.000010   0.000047   0.000539   0.003500
    32  H   -0.000001  -0.000017   0.000003  -0.000014  -0.000032  -0.000421
    33  H   -0.000038   0.000003   0.000001  -0.000001   0.000011   0.000301
    34  H    0.000006   0.000017  -0.000000   0.000000   0.000032   0.000449
    35  H    0.017796   0.032758  -0.000669  -0.000064  -0.000129   0.002976
    36  H    0.000828  -0.005787   0.000000   0.000008   0.000080  -0.003848
    37  H   -0.676997   0.094804  -0.002666   0.000659  -0.001551  -0.004852
    38  H   -0.440883  -0.699316  -0.183091   0.021370   0.005405  -0.034349
    39  H   -0.058115  -0.917138  -0.481098  -1.145317   0.340169   0.101698
    40  H    0.000228   0.123466  -0.634460   0.422741  -1.371898   0.323280
    41  Br  -0.001239   0.016739  -0.002010  -0.527395   1.331955  -0.397357
    42  H   -0.030672   0.417658   0.172770   0.314643  -2.915567  -1.512548
              31         32         33         34         35         36
     1  H    0.005084  -0.000728  -0.001319   0.000672   0.003345  -0.000389
     2  C   -0.026407  -0.013126  -0.005923   0.007196  -0.001125   0.001198
     3  C    0.022627  -0.002635   0.000094  -0.000006   0.000025  -0.000030
     4  H   -0.001452   0.000044   0.000002  -0.000004   0.000001  -0.000001
     5  C    0.063006   0.000221   0.000006  -0.000078  -0.000000   0.000000
     6  H    0.008548  -0.000058  -0.000000   0.000001   0.000000   0.000000
     7  C   -0.438482   0.030874   0.000068  -0.001776  -0.000001   0.000001
     8  H   -0.382564   0.003759   0.000001  -0.000096  -0.000000  -0.000000
     9  C   -0.566425   0.035690  -0.007215   0.037265   0.000014   0.000124
    10  C   -0.085224  -0.845568   0.000267   0.033364   0.000006  -0.000065
    11  C   -0.004546   0.076642  -0.012795  -0.005818   0.000663  -0.002122
    12  C    0.064531   0.374221   0.157586  -0.017525  -0.018660   0.002202
    13  C    0.269665  -0.964100   0.046502  -0.624131  -0.003923   0.038666
    14  C   -1.026689   0.175896   0.045710  -0.394224   0.000008  -0.001094
    15  C   -0.003419  -0.089437   0.320998   0.095925   0.128730   0.245393
    16  C   -0.004774   0.034032  -1.048729   0.171798   0.156544  -1.013225
    17  C    0.000363   0.047664   0.287226  -0.830054   0.024481  -0.372755
    18  C    0.031625  -0.325969  -0.961670   0.125293  -0.000471   0.036160
    19  C   -0.002562   0.004099  -0.018994  -0.016581  -0.034439   0.204115
    20  C    0.000008  -0.000087   0.041711  -0.004408  -0.624778   0.040503
    21  C    0.000004  -0.000003   0.032196  -0.000381   0.122045  -0.905096
    22  C    0.000058  -0.001389  -0.379241   0.027947  -0.794775   0.243794
    23  C    0.002311  -0.002165  -0.000953   0.000132  -0.004333  -0.014493
    24  C    0.000000   0.000002  -0.000964   0.000001  -0.369000   0.040619
    25  C    0.000001  -0.000001  -0.000038   0.000006   0.017796   0.000828
    26  C    0.000037  -0.000017   0.000003   0.000017   0.032758  -0.005787
    27  C   -0.000010   0.000003   0.000001  -0.000000  -0.000669   0.000000
    28  C    0.000047  -0.000014  -0.000001   0.000000  -0.000064   0.000008
    29  C    0.000539  -0.000032   0.000011   0.000032  -0.000129   0.000080
    30  C    0.003500  -0.000421   0.000301   0.000449   0.002976  -0.003848
    31  H    3.545279  -0.630209  -0.000066   0.001708  -0.000000   0.000001
    32  H   -0.630209   3.288069   0.006243  -0.268564   0.000000  -0.000050
    33  H   -0.000066   0.006243   3.260269  -0.627621   0.000170  -0.240108
    34  H    0.001708  -0.268564  -0.627621   3.053638  -0.000001   0.000936
    35  H   -0.000000   0.000000   0.000170  -0.000001   3.028612  -0.600249
    36  H    0.000001  -0.000050  -0.240108   0.000936  -0.600249   3.175877
    37  H   -0.000000  -0.000000  -0.000036   0.000000  -0.253533   0.005235
    38  H   -0.000000   0.000000   0.000001  -0.000000   0.000570  -0.000047
    39  H   -0.000000   0.000000  -0.000000   0.000000  -0.000036   0.000000
    40  H    0.000001  -0.000000  -0.000000  -0.000000   0.000000  -0.000000
    41  Br   0.000479  -0.000181   0.000040  -0.000147   0.000018  -0.000006
    42  H   -0.004804   0.002292  -0.000185   0.001944   0.000167  -0.000432
              37         38         39         40         41         42
     1  H    0.000868  -0.005987   0.004567  -0.000720  -0.000015   0.004892
     2  C   -0.000381   0.003215  -0.003080   0.002310  -0.013109   0.151770
     3  C   -0.000083   0.001565  -0.001927   0.000100   0.001566   0.007809
     4  H   -0.000013   0.000599  -0.000472  -0.001406   0.001136   0.002592
     5  C   -0.000007  -0.000034   0.000231   0.001163  -0.001785   0.000424
     6  H   -0.000000  -0.000001   0.000010   0.000376   0.001225  -0.000993
     7  C    0.000002  -0.000004   0.000027  -0.000121   0.014418  -0.017101
     8  H    0.000000   0.000000  -0.000003  -0.000010  -0.001553   0.004588
     9  C   -0.000024   0.000017   0.000099  -0.000134  -0.016595   0.076493
    10  C   -0.000001   0.000000  -0.000006   0.000017   0.003081   0.002060
    11  C   -0.002309   0.003210   0.001395  -0.001846   0.022347  -0.463112
    12  C    0.003550  -0.002984  -0.000914   0.001024  -0.011514   0.428558
    13  C   -0.000130   0.000027  -0.000043   0.000013   0.002074  -0.066814
    14  C    0.000001   0.000000   0.000002   0.000001   0.003098   0.029434
    15  C   -0.104566   0.004353   0.001614  -0.001310   0.005523  -0.334747
    16  C    0.035594  -0.005369   0.000035   0.000025   0.000248   0.126168
    17  C   -0.001211   0.000067   0.000000  -0.000000   0.000071  -0.001530
    18  C    0.000004   0.000002  -0.000000   0.000000  -0.000394  -0.005535
    19  C    0.365747   0.064249  -0.104846  -0.004845  -0.003398  -0.253091
    20  C   -0.920629   0.278680   0.017824  -0.003538   0.000896  -0.071066
    21  C   -0.282754   0.022803  -0.000892   0.000019  -0.000151   0.005298
    22  C    0.037042   0.000899  -0.000014   0.000003  -0.000099   0.000674
    23  C    0.029230   0.183624   0.299024   0.099047   0.033919  -1.387150
    24  C    0.042491  -0.851209   0.022580   0.001109  -0.000184  -0.003832
    25  C   -0.676997  -0.440883  -0.058115   0.000228  -0.001239  -0.030672
    26  C    0.094804  -0.699316  -0.917138   0.123466   0.016739   0.417658
    27  C   -0.002666  -0.183091  -0.481098  -0.634460  -0.002010   0.172770
    28  C    0.000659   0.021370  -1.145317   0.422741  -0.527395   0.314643
    29  C   -0.001551   0.005405   0.340169  -1.371898   1.331955  -2.915567
    30  C   -0.004852  -0.034349   0.101698   0.323280  -0.397357  -1.512548
    31  H   -0.000000  -0.000000  -0.000000   0.000001   0.000479  -0.004804
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000181   0.002292
    33  H   -0.000036   0.000001  -0.000000  -0.000000   0.000040  -0.000185
    34  H    0.000000  -0.000000   0.000000  -0.000000  -0.000147   0.001944
    35  H   -0.253533   0.000570  -0.000036   0.000000   0.000018   0.000167
    36  H    0.005235  -0.000047   0.000000  -0.000000  -0.000006  -0.000432
    37  H    3.106808  -0.535083  -0.002775   0.000039  -0.000033   0.000222
    38  H   -0.535083   3.235438  -0.190833  -0.001384  -0.000201   0.002389
    39  H   -0.002775  -0.190833   3.564098  -0.498048   0.029211  -0.030862
    40  H    0.000039  -0.001384  -0.498048   2.837601  -0.246136   0.067088
    41  Br  -0.000033  -0.000201   0.029211  -0.246136  35.472617  -0.315528
    42  H    0.000222   0.002389  -0.030862   0.067088  -0.315528   6.424254
 Mulliken charges:
               1
     1  H    0.316795
     2  C    0.027641
     3  C   -0.283826
     4  H    0.475672
     5  C   -0.314109
     6  H    0.410251
     7  C   -0.245182
     8  H   -0.030758
     9  C   -0.628486
    10  C    0.241164
    11  C   -0.791626
    12  C    0.953218
    13  C   -0.590493
    14  C   -0.068816
    15  C    0.247714
    16  C   -0.417446
    17  C   -0.061203
    18  C    0.137775
    19  C    0.858717
    20  C   -0.588728
    21  C    0.099130
    22  C   -0.038560
    23  C   -1.019617
    24  C   -0.002017
    25  C    0.071700
    26  C   -0.457131
    27  C   -0.008282
    28  C    0.537622
    29  C   -1.074536
    30  C    1.469922
    31  H    0.158213
    32  H    0.065002
    33  H    0.106454
    34  H    0.233089
    35  H    0.187258
    36  H    0.124057
    37  H    0.067337
    38  H    0.122294
    39  H    0.053833
    40  H   -0.113794
    41  Br  -0.401631
    42  H    0.171384
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.344435
     3  C    0.191846
     5  C    0.096143
     7  C   -0.275941
     9  C   -0.628486
    10  C    0.399377
    11  C   -0.791626
    12  C    0.953218
    13  C   -0.590493
    14  C   -0.003814
    15  C    0.247714
    16  C   -0.417446
    17  C    0.045251
    18  C    0.370864
    19  C    0.858717
    20  C   -0.588728
    21  C    0.286388
    22  C    0.085496
    23  C   -1.019617
    24  C    0.065320
    25  C    0.193993
    26  C   -0.457131
    27  C    0.045551
    28  C    0.423828
    29  C   -1.074536
    30  C    1.641306
    41  Br  -0.401631
 Electronic spatial extent (au):  <R**2>=           9163.9743
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.6587    Y=              0.6509    Z=              0.8716  Tot=              1.9836
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -154.6343   YY=           -147.0196   ZZ=           -169.5533
   XY=             -2.4713   XZ=              8.8394   YZ=              9.3956
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.4348   YY=             10.0495   ZZ=            -12.4843
   XY=             -2.4713   XZ=              8.8394   YZ=              9.3956
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             50.3594  YYY=             19.5634  ZZZ=            -34.4924  XYY=             43.8376
  XXY=              7.8357  XXZ=            -18.1271  XZZ=             50.7870  YZZ=             -1.2360
  YYZ=            -16.8545  XYZ=            -18.6780
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5207.6541 YYYY=          -4441.6335 ZZZZ=          -1606.7408 XXXY=            -43.1329
 XXXZ=            -22.1982 YYYX=            -12.7691 YYYZ=            177.0454 ZZZX=           -107.4547
 ZZZY=             24.2107 XXYY=          -1576.4008 XXZZ=          -1189.3248 YYZZ=          -1109.7591
 XXYZ=             47.8718 YYXZ=             -7.7116 ZZXY=              6.7288
 N-N= 2.775636096689D+03 E-N=-1.401028454460D+04  KE= 3.556252232257D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Jul 25 00:30:47 2021, MaxMem= 16106127360 cpu:              13.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000      -22.4046  -22.4037       -9.2388   -9.2416
 2     22.4047   22.4037      -22.0937  -22.1048      -17.9623  -17.9421
 3      9.2388    9.2416       99.8528   99.8485       22.1008   22.1048
 4     22.0938   22.1048       -0.0000    0.0000        9.2302    9.2416
 5    -81.8904  -81.9064       -9.2303   -9.2416      -22.3983  -22.4037
 6    -22.1008  -22.1048       22.3982   22.4037       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       67.2111   67.2111      -27.7247  -27.7247
 2     66.3143   66.3143        0.0000    0.0000      -27.7246  -27.7247
 3     66.3143   66.3143       67.2111   67.2111       -0.0000    0.0000
 4     67.2110   67.2111      -66.3143  -66.3143      -53.8263  -53.8263
 5     27.7245   27.7247      299.5454  299.5454       66.3142   66.3143
 6   -245.7191 -245.7191      -27.7249  -27.7247      -67.2111  -67.2111
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5018    0.0000       90.1982   89.6148       38.7389   36.9662
 2    -89.6237  -89.6148       92.3274   88.4190       75.5066   71.7684
 3    -38.3754  -36.9662     -403.7681 -399.3938      -92.5767  -88.4190
 4    -88.2001  -88.4190        2.6431    0.0000      -33.8836  -36.9662
 5    326.8512  327.6255       32.1308   36.9662       84.1627   89.6148
 6     88.9014   88.4190      -88.0717  -89.6148        2.6723    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7885    0.0000      266.4670  269.8465      135.6046  140.5778
 2   -276.4327 -269.8465      538.7414  547.8976      508.1861  517.7367
 3   -136.2696 -140.5778     -819.6993 -807.3007     -562.1769 -547.8976
 4   -551.8930 -547.8976       -9.9902    0.0000     -148.1142 -140.5778
 5    289.9351  289.5640      119.4975  140.5778      248.3836  269.8465
 6    554.3393  547.8976     -243.1115 -269.8465       25.9416    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -202.2837 -201.5219     -278.5470 -280.4288     -225.2509 -225.2577
 2   -420.7002 -415.2224     -108.8258  -94.7597     -241.4489 -225.2577
 3   -420.2075 -415.2224     -287.1030 -280.4288     -297.4495 -289.4637
 4   -191.9130 -185.6691      204.2556  213.7005      298.1091  303.3239
 5    -62.7897  -64.2060     -483.5084 -478.8731     -226.2756 -213.7005
 6    176.9697  175.5491       65.0110   64.2060      190.0816  185.6691
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      6.3773                 8.5228                 7.1022
  Dep-P Fr= 1--      0.7132                 0.5558                 0.7068
  Dep-U Fr= 1--      0.8326                 0.7145                 0.8282
 Alpha2 Fr= 1--      0.0041                 0.0315                 0.0053
 Beta2  Fr= 1--      0.8850                 1.0149                 0.9804
 AlphaG Fr= 1--     -0.0535                -0.0270                 0.0280
 Gamma2 Fr= 1--     -4.8617                -4.4960                -6.5222
 Delta2 Fr= 1--     -2.4024                -0.5970                -3.4230
 Raman1 Fr= 1--      25.509                 34.091                 28.409
 ROA1   Fr= 1--    -543.601               -450.716               -735.665
 CID1   Fr= 1--     -21.310                -13.221                -25.896
 Raman2 Fr= 1--      10.620                 12.179                 11.764
 ROA2   Fr= 1--     -97.462               -103.127               -129.148
 CID2   Fr= 1--      -9.178                 -8.468                -10.978
 Raman3 Fr= 1--      21.239                 24.358                 23.529
 ROA3   Fr= 1--    -543.601               -450.716               -735.665
 CID3   Fr= 1--     -25.594                -18.504                -31.267
 RC180  Fr= 1--       0.665                  0.429                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.3592                 8.5246                 0.4992
  Dep-P Fr= 1--      0.7373                 0.7321                 0.7499
  Dep-U Fr= 1--      0.8488                 0.8453                 0.8571
 Alpha2 Fr= 1--      0.0005                 0.0026                 0.0000
 Beta2  Fr= 1--      0.3338                 1.2010                 0.0713
 AlphaG Fr= 1--     -0.0109                -0.0088                 0.0000
 Gamma2 Fr= 1--    -12.1673                 5.3030                 0.1329
 Delta2 Fr= 1--     -3.7495                 2.1627                -0.1300
 Raman1 Fr= 1--       9.437                 34.098                  1.997
 ROA1   Fr= 1--   -1288.046                578.294                  8.599
 CID1   Fr= 1--    -136.491                 16.960                  4.306
 Raman2 Fr= 1--       4.005                 14.412                  0.856
 ROA2   Fr= 1--    -262.020                109.971                  4.230
 CID2   Fr= 1--     -65.423                  7.630                  4.944
 Raman3 Fr= 1--       8.010                 28.824                  1.711
 ROA3   Fr= 1--   -1288.046                578.294                  8.599
 CID3   Fr= 1--    -160.804                 20.063                  5.024
 RC180  Fr= 1--       0.698                  0.691                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.2264                 4.0748                 3.6280
  Dep-P Fr= 1--      0.7188                 0.6813                 0.6767
  Dep-U Fr= 1--      0.8364                 0.8104                 0.8072
 Alpha2 Fr= 1--      0.0001                 0.0049                 0.0047
 Beta2  Fr= 1--      0.0316                 0.5504                 0.4881
 AlphaG Fr= 1--      0.0095                 0.0363                -0.0482
 Gamma2 Fr= 1--     -1.2012                 1.5311                 0.6048
 Delta2 Fr= 1--     -0.5484                -0.2437                -0.7954
 Raman1 Fr= 1--       0.906                 16.299                 14.512
 ROA1   Fr= 1--    -132.861                139.189                 32.603
 CID1   Fr= 1--    -146.717                  8.540                  2.247
 Raman2 Fr= 1--       0.379                  6.605                  5.857
 ROA2   Fr= 1--     -24.440                 38.697                 20.877
 CID2   Fr= 1--     -64.536                  5.859                  3.565
 Raman3 Fr= 1--       0.757                 13.209                 11.714
 ROA3   Fr= 1--    -132.861                139.189                 32.603
 CID3   Fr= 1--    -175.413                 10.537                  2.783
 RC180  Fr= 1--       0.673                  0.621                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7983                 1.2238                 6.8650
  Dep-P Fr= 1--      0.7328                 0.2535                 0.1418
  Dep-U Fr= 1--      0.8458                 0.4045                 0.2484
 Alpha2 Fr= 1--      0.0002                 0.0144                 0.1083
 Beta2  Fr= 1--      0.1125                 0.0825                 0.2842
 AlphaG Fr= 1--     -0.0140                 0.0780                -0.1985
 Gamma2 Fr= 1--      0.9674                -0.4478                 6.4145
 Delta2 Fr= 1--     -0.3978                -1.1582                 0.4076
 Raman1 Fr= 1--       3.193                  4.895                 27.460
 ROA1   Fr= 1--      80.145                -80.057                628.835
 CID1   Fr= 1--      25.099                -16.355                 22.900
 Raman2 Fr= 1--       1.350                  0.990                  3.411
 ROA2   Fr= 1--      26.401                 -1.483                150.687
 CID2   Fr= 1--      19.551                 -1.497                 44.177
 Raman3 Fr= 1--       2.701                  1.980                  6.822
 ROA3   Fr= 1--      80.145                -80.057                628.835
 CID3   Fr= 1--      29.676                -40.431                 92.178
 RC180  Fr= 1--       0.692                 -0.191                 -0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      4.1908                 3.5464                 2.0462
  Dep-P Fr= 1--      0.2598                 0.5136                 0.3003
  Dep-U Fr= 1--      0.4124                 0.6786                 0.4618
 Alpha2 Fr= 1--      0.0483                 0.0164                 0.0210
 Beta2  Fr= 1--      0.2881                 0.4011                 0.1575
 AlphaG Fr= 1--     -0.1711                -0.0569                -0.0383
 Gamma2 Fr= 1--      3.5999                 1.3104                 4.0098
 Delta2 Fr= 1--     -1.7335                 0.2413                 0.6290
 Raman1 Fr= 1--      16.763                 14.186                  8.185
 ROA1   Fr= 1--     290.117                133.520                405.066
 CID1   Fr= 1--      17.307                  9.412                 49.491
 Raman2 Fr= 1--       3.457                  4.813                  1.890
 ROA2   Fr= 1--     100.265                 29.519                 91.203
 CID2   Fr= 1--      29.005                  6.133                 48.255
 Raman3 Fr= 1--       6.914                  9.627                  3.780
 ROA3   Fr= 1--     290.117                133.520                405.066
 CID3   Fr= 1--      41.963                 13.870                107.160
 RC180  Fr= 1--      -0.175                  0.357                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--      6.6495                 2.4016                41.5807
  Dep-P Fr= 1--      0.3744                 0.5297                 0.0681
  Dep-U Fr= 1--      0.5448                 0.6925                 0.1275
 Alpha2 Fr= 1--      0.0538                 0.0102                 0.7866
 Beta2  Fr= 1--      0.6038                 0.2772                 0.8837
 AlphaG Fr= 1--      0.1010                -0.0301                -1.6487
 Gamma2 Fr= 1--      1.5466                 1.2005                17.9985
 Delta2 Fr= 1--     -1.4840                -1.2145                 6.4808
 Raman1 Fr= 1--      26.598                  9.607                166.323
 ROA1   Fr= 1--     100.988                 76.388               1935.241
 CID1   Fr= 1--       3.797                  7.952                 11.635
 Raman2 Fr= 1--       7.246                  3.326                 10.605
 ROA2   Fr= 1--      48.991                 38.529                380.117
 CID2   Fr= 1--       6.762                 11.583                 35.845
 Raman3 Fr= 1--      14.491                  6.653                 21.209
 ROA3   Fr= 1--     100.988                 76.388               1935.241
 CID3   Fr= 1--       6.969                 11.482                 91.246
 RC180  Fr= 1--       0.090                  0.385                 -0.745
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      6.5434                 1.9124                 1.9657
  Dep-P Fr= 1--      0.4366                 0.7393                 0.6746
  Dep-U Fr= 1--      0.6078                 0.8501                 0.8057
 Alpha2 Fr= 1--      0.0423                 0.0003                 0.0026
 Beta2  Fr= 1--      0.6628                 0.2710                 0.2639
 AlphaG Fr= 1--      0.0335                 0.0304                -0.0230
 Gamma2 Fr= 1--     -0.1113                 0.4914                -2.1605
 Delta2 Fr= 1--     -0.7222                -0.4628                -1.8830
 Raman1 Fr= 1--      26.174                  7.650                  7.863
 ROA1   Fr= 1--     -33.792                 32.369               -267.666
 CID1   Fr= 1--      -1.291                  4.231                -34.043
 Raman2 Fr= 1--       7.954                  3.252                  3.167
 ROA2   Fr= 1--       3.107                 15.497                -36.788
 CID2   Fr= 1--       0.391                  4.766                -11.615
 Raman3 Fr= 1--      15.908                  6.503                  6.335
 ROA3   Fr= 1--     -33.792                 32.369               -267.666
 CID3   Fr= 1--      -2.124                  4.977                -42.254
 RC180  Fr= 1--       0.216                  0.700                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      2.9701                 3.5003                 0.4949
  Dep-P Fr= 1--      0.2806                 0.6622                 0.5323
  Dep-U Fr= 1--      0.4383                 0.7968                 0.6948
 Alpha2 Fr= 1--      0.0323                 0.0055                 0.0021
 Beta2  Fr= 1--      0.2170                 0.4648                 0.0573
 AlphaG Fr= 1--     -0.0110                 0.0009                -0.0157
 Gamma2 Fr= 1--      2.6411                -0.9222                -0.1989
 Delta2 Fr= 1--     -0.0082                -2.4151                -0.1176
 Raman1 Fr= 1--      11.881                 14.001                  1.979
 ROA1   Fr= 1--     253.287               -165.811                -22.861
 CID1   Fr= 1--      21.319                -11.842                -11.549
 Raman2 Fr= 1--       2.603                  5.578                  0.688
 ROA2   Fr= 1--      63.453                 -2.810                 -3.834
 CID2   Fr= 1--      24.372                 -0.504                 -5.575
 Raman3 Fr= 1--       5.207                 11.156                  1.375
 ROA3   Fr= 1--     253.287               -165.811                -22.861
 CID3   Fr= 1--      48.644                -14.863                -16.623
 RC180  Fr= 1--      -0.123                  0.594                  0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      3.1384                 7.4933                 1.0028
  Dep-P Fr= 1--      0.1400                 0.0903                 0.5379
  Dep-U Fr= 1--      0.2457                 0.1657                 0.6995
 Alpha2 Fr= 1--      0.0498                 0.1343                 0.0041
 Beta2  Fr= 1--      0.1285                 0.2070                 0.1169
 AlphaG Fr= 1--     -0.2305                 0.0276                 0.0619
 Gamma2 Fr= 1--      1.0072                 1.8465                -1.5114
 Delta2 Fr= 1--      1.0664                 0.2729                -0.3873
 Raman1 Fr= 1--      12.554                 29.973                  4.011
 ROA1   Fr= 1--     130.819                186.000               -157.484
 CID1   Fr= 1--      10.421                  6.206                -39.260
 Raman2 Fr= 1--       1.542                  2.483                  1.403
 ROA2   Fr= 1--      15.643                 42.133                -33.175
 CID2   Fr= 1--      10.144                 16.966                -23.645
 Raman3 Fr= 1--       3.084                  4.967                  2.806
 ROA3   Fr= 1--     130.819                186.000               -157.484
 CID3   Fr= 1--      42.416                 37.449                -56.123
 RC180  Fr= 1--      -0.509                 -0.669                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      8.3044                 3.0096                 3.2238
  Dep-P Fr= 1--      0.2044                 0.1260                 0.2831
  Dep-U Fr= 1--      0.3394                 0.2238                 0.4413
 Alpha2 Fr= 1--      0.1115                 0.0494                 0.0348
 Beta2  Fr= 1--      0.4698                 0.1123                 0.2371
 AlphaG Fr= 1--     -0.0812                -0.8787                -0.2675
 Gamma2 Fr= 1--      0.9510                -0.8063                 0.7613
 Delta2 Fr= 1--      0.5006                 0.5526                 0.8403
 Raman1 Fr= 1--      33.218                 12.038                 12.895
 ROA1   Fr= 1--     107.313                -59.719                 99.977
 CID1   Fr= 1--       3.231                 -4.961                  7.753
 Raman2 Fr= 1--       5.637                  1.347                  2.845
 ROA2   Fr= 1--      18.819                -23.771                 11.550
 CID2   Fr= 1--       3.338                -17.646                  4.059
 Raman3 Fr= 1--      11.275                  2.694                  5.690
 ROA3   Fr= 1--     107.313                -59.719                 99.977
 CID3   Fr= 1--       9.518                -22.166                 17.570
 RC180  Fr= 1--      -0.321                 -0.552                 -0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      3.1029                 0.7986                 1.1986
  Dep-P Fr= 1--      0.2082                 0.5578                 0.4341
  Dep-U Fr= 1--      0.3447                 0.7162                 0.6054
 Alpha2 Fr= 1--      0.0412                 0.0029                 0.0078
 Beta2  Fr= 1--      0.1782                 0.0953                 0.1209
 AlphaG Fr= 1--     -0.1599                 0.0033                -0.0139
 Gamma2 Fr= 1--      1.2407                -0.0839                -2.3190
 Delta2 Fr= 1--      0.1836                -0.2694                 0.1002
 Raman1 Fr= 1--      12.411                  3.194                  4.794
 ROA1   Fr= 1--     124.978                -16.672               -219.413
 CID1   Fr= 1--      10.070                 -5.219                -45.766
 Raman2 Fr= 1--       2.139                  1.144                  1.451
 ROA2   Fr= 1--      28.307                  0.143                -56.457
 CID2   Fr= 1--      13.235                  0.125                -38.906
 Raman3 Fr= 1--       4.278                  2.288                  2.902
 ROA3   Fr= 1--     124.978                -16.672               -219.413
 CID3   Fr= 1--      29.216                 -7.287                -75.602
 RC180  Fr= 1--      -0.311                  0.432                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.2471                43.5344                 4.0431
  Dep-P Fr= 1--      0.3591                 0.0575                 0.0604
  Dep-U Fr= 1--      0.5285                 0.1088                 0.1139
 Alpha2 Fr= 1--      0.0021                 0.8446                 0.0779
 Beta2  Fr= 1--      0.0218                 0.7894                 0.0767
 AlphaG Fr= 1--      0.0095                -0.8565                -0.1383
 Gamma2 Fr= 1--      0.2859                 6.3928                -0.1289
 Delta2 Fr= 1--     -0.3171                 0.5201                -0.6227
 Raman1 Fr= 1--       0.988                174.138                 16.172
 ROA1   Fr= 1--      17.302                630.353                -32.301
 CID1   Fr= 1--      17.503                  3.620                 -1.997
 Raman2 Fr= 1--       0.261                  9.472                  0.921
 ROA2   Fr= 1--       9.399                149.267                  1.889
 CID2   Fr= 1--      35.986                 15.758                  2.051
 Raman3 Fr= 1--       0.522                 18.945                  1.842
 ROA3   Fr= 1--      17.302                630.353                -32.301
 CID3   Fr= 1--      33.120                 33.273                -17.539
 RC180  Fr= 1--       0.057                 -0.782                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      1.1889                 3.5624                 3.7985
  Dep-P Fr= 1--      0.2400                 0.6343                 0.7474
  Dep-U Fr= 1--      0.3871                 0.7762                 0.8554
 Alpha2 Fr= 1--      0.0145                 0.0075                 0.0002
 Beta2  Fr= 1--      0.0767                 0.4609                 0.5416
 AlphaG Fr= 1--     -0.0578                -0.0020                 0.0147
 Gamma2 Fr= 1--     -3.2182                -2.4268                -7.9624
 Delta2 Fr= 1--     -0.1758                 0.6101                -1.1100
 Raman1 Fr= 1--       4.756                 14.250                 15.194
 ROA1   Fr= 1--    -314.569               -213.449               -799.912
 CID1   Fr= 1--     -66.146                -14.979                -52.647
 Raman2 Fr= 1--       0.920                  5.530                  6.499
 ROA2   Fr= 1--     -75.830                -63.124               -182.217
 CID2   Fr= 1--     -82.386                -11.414                -28.039
 Raman3 Fr= 1--       1.841                 11.061                 12.997
 ROA3   Fr= 1--    -314.569               -213.449               -799.912
 CID3   Fr= 1--    -170.883                -19.298                -61.545
 RC180  Fr= 1--      -0.226                  0.552                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      2.3639                 1.0561                 1.0647
  Dep-P Fr= 1--      0.5900                 0.4085                 0.4729
  Dep-U Fr= 1--      0.7421                 0.5800                 0.6422
 Alpha2 Fr= 1--      0.0070                 0.0076                 0.0059
 Beta2  Fr= 1--      0.2924                 0.1021                 0.1140
 AlphaG Fr= 1--     -0.1025                -0.0643                 0.0398
 Gamma2 Fr= 1--     -7.1157                -0.0263                -2.6794
 Delta2 Fr= 1--     -1.7307                 0.3534                 0.0654
 Raman1 Fr= 1--       9.456                  4.225                  4.259
 ROA1   Fr= 1--    -738.485                  8.783               -255.129
 CID1   Fr= 1--     -78.101                  2.079                -59.904
 Raman2 Fr= 1--       3.509                  1.225                  1.367
 ROA2   Fr= 1--    -156.930                 -3.458                -64.828
 CID2   Fr= 1--     -44.726                 -2.823                -47.408
 Raman3 Fr= 1--       7.017                  2.450                  2.735
 ROA3   Fr= 1--    -738.485                  8.783               -255.129
 CID3   Fr= 1--    -105.237                  3.584                -93.286
 RC180  Fr= 1--       0.484                  0.160                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      2.5304                 0.9409                 0.9343
  Dep-P Fr= 1--      0.6193                 0.7423                 0.7355
  Dep-U Fr= 1--      0.7649                 0.8521                 0.8476
 Alpha2 Fr= 1--      0.0061                 0.0001                 0.0002
 Beta2  Fr= 1--      0.3226                 0.1336                 0.1320
 AlphaG Fr= 1--      0.0670                -0.0179                -0.0035
 Gamma2 Fr= 1--     -0.4936                -3.2553                -3.1784
 Delta2 Fr= 1--     -1.6706                 0.0340                -0.4353
 Raman1 Fr= 1--      10.122                  3.764                  3.737
 ROA1   Fr= 1--    -100.845               -311.423               -319.055
 CID1   Fr= 1--      -9.963                -82.744                -85.370
 Raman2 Fr= 1--       3.871                  1.603                  1.584
 ROA2   Fr= 1--       1.518                -78.399                -72.798
 CID2   Fr= 1--       0.392                -48.893                -45.964
 Raman3 Fr= 1--       7.742                  3.207                  3.168
 ROA3   Fr= 1--    -100.845               -311.423               -319.055
 CID3   Fr= 1--     -13.026                -97.108               -100.724
 RC180  Fr= 1--       0.530                  0.704                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      2.8100                 3.9768                 1.5872
  Dep-P Fr= 1--      0.7453                 0.1143                 0.2990
  Dep-U Fr= 1--      0.8541                 0.2052                 0.4604
 Alpha2 Fr= 1--      0.0002                 0.0672                 0.0163
 Beta2  Fr= 1--      0.4000                 0.1360                 0.1218
 AlphaG Fr= 1--     -0.0012                 0.0551                 0.0403
 Gamma2 Fr= 1--     -4.6420                 1.5778                -0.6262
 Delta2 Fr= 1--     -8.7712                 0.5788                -1.2612
 Raman1 Fr= 1--      11.240                 15.907                  6.349
 ROA1   Fr= 1--    -726.311                169.992               -100.474
 CID1   Fr= 1--     -64.619                 10.686                -15.825
 Raman2 Fr= 1--       4.800                  1.632                  1.461
 ROA2   Fr= 1--     -41.238                 33.237                 -4.939
 CID2   Fr= 1--      -8.591                 20.364                 -3.380
 Raman3 Fr= 1--       9.600                  3.264                  2.923
 ROA3   Fr= 1--    -726.311                169.992               -100.474
 CID3   Fr= 1--     -75.658                 52.075                -34.376
 RC180  Fr= 1--       0.708                 -0.590                 -0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     12.8199                 5.5849                 0.4424
  Dep-P Fr= 1--      0.0758                 0.1159                 0.3354
  Dep-U Fr= 1--      0.1409                 0.2077                 0.5023
 Alpha2 Fr= 1--      0.2380                 0.0940                 0.0041
 Beta2  Fr= 1--      0.3011                 0.1933                 0.0370
 AlphaG Fr= 1--      0.2174                 0.0688                -0.0201
 Gamma2 Fr= 1--     -2.6129                 1.2725                -0.0602
 Delta2 Fr= 1--     -2.0666                 0.3276                -0.5838
 Raman1 Fr= 1--      51.279                 22.339                  1.769
 ROA1   Fr= 1--    -316.966                132.642                -24.463
 CID1   Fr= 1--      -6.181                  5.938                -13.825
 Raman2 Fr= 1--       3.613                  2.320                  0.444
 ROA2   Fr= 1--     -46.176                 27.920                  3.225
 CID2   Fr= 1--     -12.780                 12.035                  7.257
 Raman3 Fr= 1--       7.226                  4.640                  0.889
 ROA3   Fr= 1--    -316.966                132.642                -24.463
 CID3   Fr= 1--     -43.864                 28.588                -27.524
 RC180  Fr= 1--      -0.718                 -0.585                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.1862                33.4791                14.7337
  Dep-P Fr= 1--      0.5860                 0.0729                 0.0730
  Dep-U Fr= 1--      0.7390                 0.1360                 0.1361
 Alpha2 Fr= 1--      0.0006                 0.6260                 0.2754
 Beta2  Fr= 1--      0.0229                 0.7587                 0.3343
 AlphaG Fr= 1--     -0.0218                 1.3463                 1.1532
 Gamma2 Fr= 1--      0.4130                -1.8829                -4.2596
 Delta2 Fr= 1--     -0.0666                -0.2287                 0.3947
 Raman1 Fr= 1--       0.745                133.916                 58.935
 ROA1   Fr= 1--      37.514               -188.079               -396.289
 CID1   Fr= 1--      50.363                 -1.404                 -6.724
 Raman2 Fr= 1--       0.275                  9.105                  4.012
 ROA2   Fr= 1--      10.445                -43.361               -105.388
 CID2   Fr= 1--      37.950                 -4.762                -26.271
 Raman3 Fr= 1--       0.550                 18.210                  8.023
 ROA3   Fr= 1--      37.514               -188.079               -396.289
 CID3   Fr= 1--      68.152                -10.328                -49.393
 RC180  Fr= 1--       0.478                 -0.728                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      4.8929                10.4552                 6.4420
  Dep-P Fr= 1--      0.6871                 0.2191                 0.4997
  Dep-U Fr= 1--      0.8146                 0.3595                 0.6664
 Alpha2 Fr= 1--      0.0054                 0.1349                 0.0319
 Beta2  Fr= 1--      0.6643                 0.6264                 0.7155
 AlphaG Fr= 1--      0.0111                -0.9947                -0.2458
 Gamma2 Fr= 1--     -2.3242               -15.3264                -0.4347
 Delta2 Fr= 1--      1.0316                -4.4156                 0.6558
 Raman1 Fr= 1--      19.572                 41.821                 25.768
 ROA1   Fr= 1--    -190.109              -1612.636                -20.743
 CID1   Fr= 1--      -9.713                -38.561                 -0.805
 Raman2 Fr= 1--       7.971                  7.517                  8.586
 ROA2   Fr= 1--     -64.033               -332.509                -15.678
 CID2   Fr= 1--      -8.033                -44.236                 -1.826
 Raman3 Fr= 1--      15.942                 15.034                 17.172
 ROA3   Fr= 1--    -190.109              -1612.636                -20.743
 CID3   Fr= 1--     -11.925               -107.269                 -1.208
 RC180  Fr= 1--       0.629                 -0.281                  0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      2.0334                 2.4790                 1.5679
  Dep-P Fr= 1--      0.7487                 0.7064                 0.3700
  Dep-U Fr= 1--      0.8563                 0.8280                 0.5401
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0129
 Beta2  Fr= 1--      0.2902                 0.3421                 0.1411
 AlphaG Fr= 1--     -0.0056                 0.0133                 0.0250
 Gamma2 Fr= 1--      3.5867                 8.5405                -8.1388
 Delta2 Fr= 1--     -1.0611                 1.7689                 0.8479
 Raman1 Fr= 1--       8.133                  9.916                  6.272
 ROA1   Fr= 1--     310.364                876.487               -754.190
 CID1   Fr= 1--      38.159                 88.389               -120.256
 Raman2 Fr= 1--       3.482                  4.105                  1.694
 ROA2   Fr= 1--      94.569                190.820               -202.114
 CID2   Fr= 1--      27.157                 46.483               -119.327
 Raman3 Fr= 1--       6.965                  8.210                  3.388
 ROA3   Fr= 1--     310.364                876.487               -754.190
 CID3   Fr= 1--      44.563                106.755               -222.635
 RC180  Fr= 1--       0.713                  0.656                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      0.8554                 1.5616                10.7972
  Dep-P Fr= 1--      0.6379                 0.3900                 0.5051
  Dep-U Fr= 1--      0.7789                 0.5611                 0.6712
 Alpha2 Fr= 1--      0.0017                 0.0120                 0.0521
 Beta2  Fr= 1--      0.1111                 0.1460                 1.2078
 AlphaG Fr= 1--     -0.0092                -0.2152                 0.1036
 Gamma2 Fr= 1--      0.1224                -2.9681               -10.8373
 Delta2 Fr= 1--      0.6716                 0.4671                -0.0083
 Raman1 Fr= 1--       3.422                  6.246                 43.189
 ROA1   Fr= 1--      33.238               -269.988              -1040.645
 CID1   Fr= 1--       9.714                -43.224                -24.095
 Raman2 Fr= 1--       1.333                  1.752                 14.493
 ROA2   Fr= 1--      -2.436                -74.970               -260.028
 CID2   Fr= 1--      -1.828                -42.781                -17.941
 Raman3 Fr= 1--       2.665                  3.505                 28.987
 ROA3   Fr= 1--      33.238               -269.988              -1040.645
 CID3   Fr= 1--      12.471                -77.032                -35.901
 RC180  Fr= 1--       0.558                  0.122                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     15.1171                39.9975                49.0515
  Dep-P Fr= 1--      0.1649                 0.0822                 0.1457
  Dep-U Fr= 1--      0.2831                 0.1519                 0.2544
 Alpha2 Fr= 1--      0.2250                 0.7313                 0.7665
 Beta2  Fr= 1--      0.7133                 1.0124                 2.0797
 AlphaG Fr= 1--     -0.8663                 2.3972                -0.1497
 Gamma2 Fr= 1--     -1.4261                -9.0591                -9.4944
 Delta2 Fr= 1--     -0.6205                 3.4179                -0.0565
 Raman1 Fr= 1--      60.468                159.990                196.206
 ROA1   Fr= 1--    -156.758               -760.295               -913.265
 CID1   Fr= 1--      -2.592                 -4.752                 -4.655
 Raman2 Fr= 1--       8.559                 12.149                 24.956
 ROA2   Fr= 1--     -29.261               -244.761               -227.413
 CID2   Fr= 1--      -3.419                -20.146                 -9.112
 Raman3 Fr= 1--      17.119                 24.298                 49.913
 ROA3   Fr= 1--    -156.758               -760.295               -913.265
 CID3   Fr= 1--      -9.157                -31.290                -18.297
 RC180  Fr= 1--      -0.434                 -0.696                 -0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     20.5876                 1.1329                 6.5403
  Dep-P Fr= 1--      0.1314                 0.3547                 0.7468
  Dep-U Fr= 1--      0.2323                 0.5237                 0.8551
 Alpha2 Fr= 1--      0.3335                 0.0098                 0.0004
 Beta2  Fr= 1--      0.7970                 0.0989                 0.9321
 AlphaG Fr= 1--     -0.0856                -0.0537                -0.0043
 Gamma2 Fr= 1--      7.1254                 0.9524                -5.3425
 Delta2 Fr= 1--      3.7881                 0.2550                 0.2200
 Raman1 Fr= 1--      82.350                  4.532                 26.161
 ROA1   Fr= 1--     805.258                 99.584               -505.839
 CID1   Fr= 1--       9.778                 21.975                -19.336
 Raman2 Fr= 1--       9.564                  1.187                 11.185
 ROA2   Fr= 1--     140.705                 20.817               -129.980
 CID2   Fr= 1--      14.712                 17.542                -11.621
 Raman3 Fr= 1--      19.128                  2.373                 22.370
 ROA3   Fr= 1--     805.258                 99.584               -505.839
 CID3   Fr= 1--      42.098                 41.960                -22.613
 RC180  Fr= 1--      -0.535                  0.047                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      2.6016                17.5996                13.6574
  Dep-P Fr= 1--      0.6013                 0.1795                 0.3100
  Dep-U Fr= 1--      0.7510                 0.3043                 0.4733
 Alpha2 Fr= 1--      0.0072                 0.2522                 0.1359
 Beta2  Fr= 1--      0.3256                 0.8927                 1.0773
 AlphaG Fr= 1--      0.0051                -0.5295                -0.3235
 Gamma2 Fr= 1--     -0.9548                 2.8260                -1.8783
 Delta2 Fr= 1--      0.8667                 1.9738                 2.2332
 Raman1 Fr= 1--      10.406                 70.398                 54.630
 ROA1   Fr= 1--     -63.923                334.454               -108.851
 CID1   Fr= 1--      -6.143                  4.751                 -1.993
 Raman2 Fr= 1--       3.907                 10.713                 12.927
 ROA2   Fr= 1--     -29.848                 52.033                -62.944
 CID2   Fr= 1--      -7.639                  4.857                 -4.869
 Raman3 Fr= 1--       7.815                 21.425                 25.854
 ROA3   Fr= 1--     -63.923                334.454               -108.851
 CID3   Fr= 1--      -8.180                 15.610                 -4.210
 RC180  Fr= 1--       0.502                 -0.391                 -0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      8.7515                22.2372               176.9174
  Dep-P Fr= 1--      0.3682                 0.1280                 0.0799
  Dep-U Fr= 1--      0.5382                 0.2269                 0.1479
 Alpha2 Fr= 1--      0.0724                 0.3634                 3.2530
 Beta2  Fr= 1--      0.7850                 0.8409                 4.3618
 AlphaG Fr= 1--     -0.0704                -0.1891                 0.0464
 Gamma2 Fr= 1--      1.0738                 4.5541                49.8482
 Delta2 Fr= 1--      3.3022                -3.8309               -10.9546
 Raman1 Fr= 1--      35.006                 88.949                707.670
 ROA1   Fr= 1--     208.756                314.601               4434.883
 CID1   Fr= 1--       5.963                  3.537                  6.267
 Raman2 Fr= 1--       9.420                 10.091                 52.341
 ROA2   Fr= 1--      -0.646                139.945               1283.993
 CID2   Fr= 1--      -0.069                 13.869                 24.531
 Raman3 Fr= 1--      18.840                 20.181                104.683
 ROA3   Fr= 1--     208.756                314.601               4434.883
 CID3   Fr= 1--      11.080                 15.589                 42.365
 RC180  Fr= 1--       0.076                 -0.546                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--     85.7273                67.9944                 4.7105
  Dep-P Fr= 1--      0.2693                 0.1843                 0.7429
  Dep-U Fr= 1--      0.4243                 0.3112                 0.8525
 Alpha2 Fr= 1--      0.9620                 0.9624                 0.0006
 Beta2  Fr= 1--      6.0622                 3.5264                 0.6693
 AlphaG Fr= 1--     -1.1863                -1.8491                 0.0090
 Gamma2 Fr= 1--    -10.1203                 0.2406               -25.3985
 Delta2 Fr= 1--    -15.8851                -4.5458                -3.6421
 Raman1 Fr= 1--     342.909                271.978                 18.842
 ROA1   Fr= 1--   -1479.868               -122.366              -2554.799
 CID1   Fr= 1--      -4.316                 -0.450               -135.590
 Raman2 Fr= 1--      72.747                 42.317                  8.031
 ROA2   Fr= 1--    -115.806                 42.142               -580.427
 CID2   Fr= 1--      -1.592                  0.996                -72.271
 Raman3 Fr= 1--     145.493                 84.633                 16.063
 ROA3   Fr= 1--   -1479.868               -122.366              -2554.799
 CID3   Fr= 1--     -10.171                 -1.446               -159.053
 RC180  Fr= 1--      -0.151                 -0.378                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--     77.6337                 8.7676                 2.1850
  Dep-P Fr= 1--      0.1090                 0.6722                 0.4874
  Dep-U Fr= 1--      0.1966                 0.8040                 0.6554
 Alpha2 Fr= 1--      1.3296                 0.0121                 0.0114
 Beta2  Fr= 1--      2.5433                 1.1748                 0.2387
 AlphaG Fr= 1--      2.1343                -0.0093                 0.0975
 Gamma2 Fr= 1--    -24.9274                -9.2085                 0.8819
 Delta2 Fr= 1--    -10.7238               -10.9585                 1.9308
 Raman1 Fr= 1--     310.535                 35.070                  8.740
 ROA1   Fr= 1--   -2736.195              -1234.690                146.451
 CID1   Fr= 1--      -8.811                -35.206                 16.756
 Raman2 Fr= 1--      30.519                 14.098                  2.864
 ROA2   Fr= 1--    -512.468               -133.337                  5.720
 CID2   Fr= 1--     -16.792                 -9.458                  1.997
 Raman3 Fr= 1--      61.038                 28.195                  5.728
 ROA3   Fr= 1--   -2736.195              -1234.690                146.451
 CID3   Fr= 1--     -44.827                -43.791                 25.566
 RC180  Fr= 1--      -0.607                  0.608                  0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      5.5925               132.4158                95.7857
  Dep-P Fr= 1--      0.1878                 0.6229                 0.6107
  Dep-U Fr= 1--      0.3163                 0.7677                 0.7583
 Alpha2 Fr= 1--      0.0784                 0.3072                 0.2454
 Beta2  Fr= 1--      0.2948                16.9419                12.1062
 AlphaG Fr= 1--      0.0373                -3.4561                -2.8780
 Gamma2 Fr= 1--      4.8117              -325.8123              -194.1133
 Delta2 Fr= 1--     -1.7628               -57.7214               -31.3934
 Raman1 Fr= 1--      22.370                529.663                383.143
 ROA1   Fr= 1--     405.513             -33125.062             -19639.468
 CID1   Fr= 1--      18.128                -62.540                -51.259
 Raman2 Fr= 1--       3.538                203.302                145.274
 ROA2   Fr= 1--     129.584              -7357.724              -4407.573
 CID2   Fr= 1--      36.630                -36.191                -30.340
 Raman3 Fr= 1--       7.075                406.605                290.548
 ROA3   Fr= 1--     405.513             -33125.062             -19639.468
 CID3   Fr= 1--      57.314                -81.467                -67.595
 RC180  Fr= 1--      -0.367                  0.535                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   2206.2293               436.6153               280.0344
  Dep-P Fr= 1--      0.1320                 0.1148                 0.4326
  Dep-U Fr= 1--      0.2332                 0.2059                 0.6039
 Alpha2 Fr= 1--     35.6866                 7.3720                 1.8384
 Beta2  Fr= 1--     85.7618                14.9825                28.1869
 AlphaG Fr= 1--   -130.2083               -45.1786               -12.4391
 Gamma2 Fr= 1--   -484.8357               159.3215              -335.4976
 Delta2 Fr= 1--   -563.0735                83.3481                16.1047
 Raman1 Fr= 1--    8824.917               1746.461               1120.138
 ROA1   Fr= 1--  -64562.580              17962.002             -31692.423
 CID1   Fr= 1--      -7.316                 10.285                -28.293
 Raman2 Fr= 1--    1029.141                179.790                338.243
 ROA2   Fr= 1--   -7131.469               3156.931              -8180.781
 CID2   Fr= 1--      -6.930                 17.559                -24.186
 Raman3 Fr= 1--    2058.283                359.580                676.485
 ROA3   Fr= 1--  -64562.580              17962.002             -31692.423
 CID3   Fr= 1--     -31.367                 49.953                -46.849
 RC180  Fr= 1--      -0.534                 -0.588                  0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    348.3468               409.4982                21.9535
  Dep-P Fr= 1--      0.7096                 0.0699                 0.1706
  Dep-U Fr= 1--      0.8301                 0.1307                 0.2915
 Alpha2 Fr= 1--      0.2439                 7.7127                 0.3220
 Beta2  Fr= 1--     48.1960                 8.9183                 1.0664
 AlphaG Fr= 1--     -0.8818               -33.9851                -1.0309
 Gamma2 Fr= 1--  -1070.9308               220.0390                -2.2643
 Delta2 Fr= 1--   -223.9225                54.9667                -3.4283
 Raman1 Fr= 1--    1393.387               1637.993                 87.814
 ROA1   Fr= 1-- -109974.873              22882.676               -327.077
 CID1   Fr= 1--     -78.926                 13.970                 -3.725
 Raman2 Fr= 1--     578.351                107.020                 12.797
 ROA2   Fr= 1--  -23910.958               4841.202                -26.917
 CID2   Fr= 1--     -41.343                 45.237                 -2.103
 Raman3 Fr= 1--    1156.703                214.039                 25.594
 ROA3   Fr= 1-- -109974.873              22882.676               -327.077
 CID3   Fr= 1--     -95.076                106.909                -12.779
 RC180  Fr= 1--       0.660                 -0.739                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     10.7448                38.5108                32.7813
  Dep-P Fr= 1--      0.7154                 0.3933                 0.4068
  Dep-U Fr= 1--      0.8341                 0.5646                 0.5783
 Alpha2 Fr= 1--      0.0064                 0.2921                 0.2370
 Beta2  Fr= 1--      1.4936                 3.6237                 3.1597
 AlphaG Fr= 1--     -0.1301                -0.9574                -1.9359
 Gamma2 Fr= 1--     -8.0097                15.3450                -4.5357
 Delta2 Fr= 1--     -1.4330                27.3593                23.2431
 Raman1 Fr= 1--      42.979                154.043                131.125
 ROA1   Fr= 1--    -814.788               2348.620                308.353
 CID1   Fr= 1--     -18.958                 15.247                  2.352
 Raman2 Fr= 1--      17.924                 43.484                 37.917
 ROA2   Fr= 1--    -180.769                149.406               -294.802
 CID2   Fr= 1--     -10.086                  3.436                 -7.775
 Raman3 Fr= 1--      35.847                 86.969                 75.834
 ROA3   Fr= 1--    -814.788               2348.620                308.353
 CID3   Fr= 1--     -22.729                 27.005                  4.066
 RC180  Fr= 1--       0.668                  0.129                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     39.1297                95.0914                93.7696
  Dep-P Fr= 1--      0.6839                 0.6907                 0.2064
  Dep-U Fr= 1--      0.8123                 0.8170                 0.3422
 Alpha2 Fr= 1--      0.0455                 0.0989                 1.2518
 Beta2  Fr= 1--      5.2972                12.9489                 5.3481
 AlphaG Fr= 1--     -0.3435                -1.2585                -3.4579
 Gamma2 Fr= 1--    -28.3619               -71.8749              -108.4652
 Delta2 Fr= 1--     31.9587                48.4863               -25.5166
 Raman1 Fr= 1--     156.519                380.366                375.078
 ROA1   Fr= 1--   -1700.070              -5348.430             -11229.185
 CID1   Fr= 1--     -10.862                -14.061                -29.938
 Raman2 Fr= 1--      63.566                155.386                 64.177
 ROA2   Fr= 1--    -936.356              -2112.889              -2399.031
 CID2   Fr= 1--     -14.730                -13.598                -37.381
 Raman3 Fr= 1--     127.133                310.773                128.355
 ROA3   Fr= 1--   -1700.070              -5348.430             -11229.185
 CID3   Fr= 1--     -13.372                -17.210                -87.485
 RC180  Fr= 1--       0.625                  0.634                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--     60.2763                10.3675                16.0084
  Dep-P Fr= 1--      0.6019                 0.2537                 0.6860
  Dep-U Fr= 1--      0.7515                 0.4047                 0.8138
 Alpha2 Fr= 1--      0.1651                 0.1216                 0.0180
 Beta2  Fr= 1--      7.5493                 0.6993                 2.1712
 AlphaG Fr= 1--     -0.5360                -0.4341                 0.1966
 Gamma2 Fr= 1--   -278.2604               -36.8889               -23.9402
 Delta2 Fr= 1--    -54.4682                -6.8336                -7.9390
 Raman1 Fr= 1--     241.105                 41.470                 64.034
 ROA1   Fr= 1--  -28455.981              -3760.013              -2552.307
 CID1   Fr= 1--    -118.023                -90.668                -39.859
 Raman2 Fr= 1--      90.591                  8.391                 26.055
 ROA2   Fr= 1--   -6242.504               -830.666               -511.053
 CID2   Fr= 1--     -68.909                -98.989                -19.614
 Raman3 Fr= 1--     181.182                 16.783                 52.110
 ROA3   Fr= 1--  -28455.981              -3760.013              -2552.307
 CID3   Fr= 1--    -157.057               -224.038                -48.979
 RC180  Fr= 1--       0.503                 -0.191                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    147.6270                97.0401               174.7602
  Dep-P Fr= 1--      0.7471                 0.5583                 0.5452
  Dep-U Fr= 1--      0.8553                 0.7165                 0.7057
 Alpha2 Fr= 1--      0.0072                 0.3538                 0.6861
 Beta2  Fr= 1--     21.0431                11.5885                20.5550
 AlphaG Fr= 1--     -0.0465                 0.6318                -1.7829
 Gamma2 Fr= 1--     -5.8268               -54.0920               -17.1616
 Delta2 Fr= 1--     57.0667                26.0457                31.3294
 Raman1 Fr= 1--     590.508                388.160                699.041
 ROA1   Fr= 1--    1266.763              -4359.373               -644.969
 CID1   Fr= 1--       2.145                -11.231                 -0.923
 Raman2 Fr= 1--     252.517                139.062                246.660
 ROA2   Fr= 1--    -596.377              -1506.574               -662.513
 CID2   Fr= 1--      -2.362                -10.834                 -2.686
 Raman3 Fr= 1--     505.035                278.124                493.320
 ROA3   Fr= 1--    1266.763              -4359.373               -644.969
 CID3   Fr= 1--       2.508                -15.674                 -1.307
 RC180  Fr= 1--       0.711                  0.433                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    152.1716               266.7608                68.6791
  Dep-P Fr= 1--      0.1524                 0.0716                 0.1355
  Dep-U Fr= 1--      0.2644                 0.1336                 0.2386
 Alpha2 Fr= 1--      2.3383                 5.0040                 1.1013
 Beta2  Fr= 1--      6.7070                 5.9401                 2.7315
 AlphaG Fr= 1--     -7.2713               -26.8216                -7.3894
 Gamma2 Fr= 1--    -24.9947                97.4698                15.7725
 Delta2 Fr= 1--    -13.7952               -23.6056                -1.8470
 Raman1 Fr= 1--     608.686               1067.043                274.717
 ROA1   Fr= 1--   -2840.934               8601.721               1455.056
 CID1   Fr= 1--      -4.667                  8.061                  5.297
 Raman2 Fr= 1--      80.483                 71.281                 32.778
 ROA2   Fr= 1--    -489.511               2528.119                393.316
 CID2   Fr= 1--      -6.082                 35.467                 11.999
 Raman3 Fr= 1--     160.967                142.563                 65.557
 ROA3   Fr= 1--   -2840.934               8601.721               1455.056
 CID3   Fr= 1--     -17.649                 60.336                 22.195
 RC180  Fr= 1--      -0.471                 -0.733                 -0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     14.6998                11.5585                39.5104
  Dep-P Fr= 1--      0.5839                 0.4297                 0.7175
  Dep-U Fr= 1--      0.7373                 0.6011                 0.8355
 Alpha2 Fr= 1--      0.0457                 0.0767                 0.0222
 Beta2  Fr= 1--      1.8064                 1.1580                 5.5017
 AlphaG Fr= 1--      0.1166                 0.1884                -0.0297
 Gamma2 Fr= 1--      4.1172               -20.6682                29.5381
 Delta2 Fr= 1--      4.3845                -0.7358                23.5246
 Raman1 Fr= 1--      58.799                 46.234                158.042
 ROA1   Fr= 1--     535.552              -2007.696               3588.447
 CID1   Fr= 1--       9.108                -43.425                 22.706
 Raman2 Fr= 1--      21.677                 13.896                 66.021
 ROA2   Fr= 1--      63.736               -490.151                520.718
 CID2   Fr= 1--       2.940                -35.273                  7.887
 Raman3 Fr= 1--      43.354                 27.792                132.041
 ROA3   Fr= 1--     535.552              -2007.696               3588.447
 CID3   Fr= 1--      12.353                -72.241                 27.177
 RC180  Fr= 1--       0.475                  0.202                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    130.5292                84.6870               117.9537
  Dep-P Fr= 1--      0.7284                 0.7496                 0.4721
  Dep-U Fr= 1--      0.8428                 0.8569                 0.6414
 Alpha2 Fr= 1--      0.0484                 0.0006                 0.6596
 Beta2  Fr= 1--     18.3360                12.0944                12.6100
 AlphaG Fr= 1--     -0.0266                -0.0032                 0.2648
 Gamma2 Fr= 1--     17.0789               -20.5806                -6.8162
 Delta2 Fr= 1--     -8.4029               -33.4874                -5.8183
 Raman1 Fr= 1--     522.117                338.748                471.815
 ROA1   Fr= 1--    1370.679              -3047.335               -840.536
 CID1   Fr= 1--       2.625                 -8.996                 -1.781
 Raman2 Fr= 1--     220.033                145.133                151.320
 ROA2   Fr= 1--     477.117               -226.036               -117.042
 CID2   Fr= 1--       2.168                 -1.557                 -0.773
 Raman3 Fr= 1--     440.065                290.265                302.640
 ROA3   Fr= 1--    1370.679              -3047.335               -840.536
 CID3   Fr= 1--       3.115                -10.498                 -2.777
 RC180  Fr= 1--       0.686                  0.714                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    109.0029                85.8107               365.3377
  Dep-P Fr= 1--      0.7405                 0.7266                 0.4961
  Dep-U Fr= 1--      0.8509                 0.8417                 0.6632
 Alpha2 Fr= 1--      0.0177                 0.0344                 1.8374
 Beta2  Fr= 1--     15.4581                12.0376                40.3792
 AlphaG Fr= 1--      0.2838                 0.0646                 1.3785
 Gamma2 Fr= 1--    -18.9622               -52.8403                40.6166
 Delta2 Fr= 1--     10.0576               -41.2572               -27.1382
 Raman1 Fr= 1--     436.012                343.243               1461.351
 ROA1   Fr= 1--   -1498.524              -6392.896               3030.770
 CID1   Fr= 1--      -3.437                -18.625                  2.074
 Raman2 Fr= 1--     185.497                144.451                484.551
 ROA2   Fr= 1--    -535.553               -938.109               1191.903
 CID2   Fr= 1--      -2.887                 -6.494                  2.460
 Raman3 Fr= 1--     370.994                288.902                969.102
 ROA3   Fr= 1--   -1498.524              -6392.896               3030.770
 CID3   Fr= 1--      -4.039                -22.128                  3.127
 RC180  Fr= 1--       0.702                  0.683                  0.326
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--     99.2372               773.7677               311.6132
  Dep-P Fr= 1--      0.7500                 0.1054                 0.1547
  Dep-U Fr= 1--      0.8571                 0.1908                 0.2679
 Alpha2 Fr= 1--      0.0000                13.3682                 4.7606
 Beta2  Fr= 1--     14.1767                24.6000                13.9126
 AlphaG Fr= 1--      0.0001                12.4288                -5.5974
 Gamma2 Fr= 1--     62.3577               -18.1307               -12.4292
 Delta2 Fr= 1--     -7.9151               104.3265               -17.6678
 Raman1 Fr= 1--     396.949               3095.071               1246.453
 ROA1   Fr= 1--    5733.051               1597.901              -1758.571
 CID1   Fr= 1--      14.443                  0.516                 -1.411
 Raman2 Fr= 1--     170.121                295.200                166.951
 ROA2   Fr= 1--    1559.905              -1269.749               -156.958
 CID2   Fr= 1--       9.169                 -4.301                 -0.940
 Raman3 Fr= 1--     340.242                590.401                333.902
 ROA3   Fr= 1--    5733.051               1597.901              -1758.571
 CID3   Fr= 1--      16.850                  2.706                 -5.267
 RC180  Fr= 1--       0.714                 -0.618                 -0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    176.7670                33.6496                17.6123
  Dep-P Fr= 1--      0.2387                 0.0835                 0.1709
  Dep-U Fr= 1--      0.3854                 0.1541                 0.2919
 Alpha2 Fr= 1--      2.1619                 0.6134                 0.2581
 Beta2  Fr= 1--     11.3547                 0.8640                 0.8568
 AlphaG Fr= 1--     -0.6039                 0.6918                 1.2913
 Gamma2 Fr= 1--     -2.1532                -7.1221                 1.1408
 Delta2 Fr= 1--     -3.8309                 2.2791                 2.9810
 Raman1 Fr= 1--     707.068                134.598                 70.449
 ROA1   Fr= 1--    -329.297               -610.793                204.904
 CID1   Fr= 1--      -0.466                 -4.538                  2.909
 Raman2 Fr= 1--     136.256                 10.368                 10.282
 ROA2   Fr= 1--     -21.030               -189.164                  3.530
 CID2   Fr= 1--      -0.154                -18.245                  0.343
 Raman3 Fr= 1--     272.513                 20.736                 20.563
 ROA3   Fr= 1--    -329.297               -610.793                204.904
 CID3   Fr= 1--      -1.208                -29.456                  9.965
 RC180  Fr= 1--      -0.229                 -0.692                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.438348D+03 -0.184831D+02  0.448074D+02
      2  -0.184831D+02  0.402464D+03  0.442095D+02
      3   0.448074D+02  0.442095D+02  0.238651D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.190266D+03 -0.279193D+02  0.139020D+03
      2  -0.112659D+03 -0.686022D+02 -0.495654D+02
      3   0.130827D+03  0.597463D+03 -0.213384D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.650246D+03  0.407995D+02 -0.306785D+03
      2   0.224362D+03  0.131608D+02 -0.173207D+02
      3   0.425884D+03 -0.539603D+02  0.324105D+03
      4   0.109563D+03 -0.354822D+03 -0.318708D+03
      5  -0.126383D+03 -0.188342D+03  0.604001D+02
      6  -0.297413D+03  0.988748D+02 -0.170866D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128018D+01  0.153844D+01 -0.104874D+00  0.730264D+00 -0.102966D+01
      2   0.153844D+01 -0.212285D+01  0.465349D+00 -0.102966D+01  0.205277D+01
      3  -0.104874D+00  0.465349D+00 -0.976911D+00 -0.462980D+00  0.206616D+00
                 6             7             8             9            10 
      1  -0.462980D+00 -0.234691D+00 -0.750879D-01 -0.589168D+00 -0.411446D+01
      2   0.206616D+00 -0.750879D-01 -0.409050D-01  0.806302D+00  0.261075D-02
      3   0.111760D+01 -0.589168D+00  0.806302D+00  0.253917D+00 -0.239352D+01
                11            12            13            14            15 
      1   0.261075D-02 -0.239352D+01 -0.207255D+01 -0.552887D+00 -0.141213D+01
      2  -0.702329D+00 -0.162087D+01 -0.552887D+00  0.257824D+01 -0.215922D+01
      3  -0.162087D+01 -0.709831D+01 -0.141213D+01 -0.215922D+01 -0.154242D+01
                16            17            18            19            20 
      1  -0.315896D+01 -0.312906D+00 -0.533180D+01  0.522073D+01 -0.651689D+00
      2  -0.312906D+00 -0.390143D+01  0.563286D+00 -0.651689D+00  0.323399D+01
      3  -0.533180D+01  0.563286D+00 -0.657625D+01  0.294659D+01  0.438202D-01
                21            22            23            24            25 
      1   0.294659D+01  0.227059D+01  0.184954D+01  0.166790D+01  0.327421D+01
      2   0.438202D-01  0.184954D+01  0.809794D+00  0.203930D+00 -0.117309D+01
      3   0.428915D+00  0.166790D+01  0.203930D+00 -0.165529D+00  0.358945D+01
                26            27            28            29            30 
      1  -0.117309D+01  0.358945D+01  0.816257D+00  0.338136D+00  0.146744D+01
      2   0.472105D+00 -0.146311D+01  0.338136D+00  0.357649D-01  0.884118D-01
      3  -0.146311D+01  0.965992D+01  0.146744D+01  0.884118D-01  0.174259D+01
                31            32            33            34            35 
      1   0.295691D+00  0.857228D+00  0.114128D+01  0.135122D+01  0.111156D+01
      2   0.857228D+00  0.228742D+01  0.309663D+01  0.111156D+01  0.209343D+01
      3   0.114128D+01  0.309663D+01  0.549885D+01  0.189109D+01  0.308701D+01
                36            37            38            39            40 
      1   0.189109D+01  0.400855D+01  0.132486D+01  0.110370D+01  0.716491D+01
      2   0.308701D+01  0.132486D+01  0.187694D+01  0.115936D+01 -0.112581D+01
      3   0.645410D+01  0.110370D+01  0.115936D+01  0.196219D+01  0.205353D+01
                41            42            43            44            45 
      1  -0.112581D+01  0.205353D+01  0.365949D+01 -0.320985D+01  0.461717D+01
      2   0.205533D+01 -0.310922D+00 -0.320985D+01  0.323037D+01 -0.245173D+01
      3  -0.310922D+00 -0.833275D+00  0.461717D+01 -0.245173D+01  0.849780D+01
                46            47            48            49            50 
      1   0.793263D+01 -0.134023D+01  0.595322D+01 -0.773805D+00  0.964504D+00
      2  -0.134023D+01  0.690928D+00 -0.125523D+01  0.964504D+00 -0.325302D+00
      3   0.595322D+01 -0.125523D+01  0.558989D+01  0.640474D-01  0.813023D+00
                51            52            53            54            55 
      1   0.640474D-01  0.547333D+01 -0.315871D+00  0.486532D+01 -0.863103D+00
      2   0.813023D+00 -0.315871D+00  0.438279D+00 -0.420231D+00  0.126187D+01
      3   0.830532D+00  0.486532D+01 -0.420231D+00  0.510077D+01 -0.334834D+01
                56            57            58            59            60 
      1   0.126187D+01 -0.334834D+01 -0.440375D+01  0.589767D+00 -0.475013D+01
      2  -0.109507D+01  0.157667D+01  0.589767D+00 -0.347323D+01  0.305154D+01
      3   0.157667D+01 -0.158695D+01 -0.475013D+01  0.305154D+01 -0.573287D+01
                61            62            63            64            65 
      1  -0.934083D+01  0.117219D+01 -0.503072D+01  0.526619D+01 -0.435684D+01
      2   0.117219D+01  0.900847D+00  0.392071D-01 -0.435684D+01  0.426638D+01
      3  -0.503072D+01  0.392071D-01 -0.528986D+01  0.105561D+01 -0.111593D+01
                66            67            68            69            70 
      1   0.105561D+01 -0.459154D+01  0.448504D+01 -0.445555D+00  0.431272D+00
      2  -0.111593D+01  0.448504D+01 -0.551832D+01  0.699655D+00  0.251073D-01
      3   0.709283D+00 -0.445555D+00  0.699655D+00 -0.602268D+00  0.568094D+00
                71            72            73            74            75 
      1   0.251073D-01  0.568094D+00  0.122395D+02 -0.289851D+01  0.106674D+02
      2  -0.629065D+00 -0.681463D+00 -0.289851D+01  0.132124D+01 -0.100793D+01
      3  -0.681463D+00  0.122640D+00  0.106674D+02 -0.100793D+01  0.100924D+02
                76            77            78            79            80 
      1  -0.165613D+02  0.293797D+01 -0.174887D+02 -0.196094D+01 -0.540468D-01
      2   0.293797D+01 -0.739804D+01 -0.852536D+00 -0.540468D-01 -0.880584D+00
      3  -0.174887D+02 -0.852536D+00 -0.199914D+02 -0.204612D+01 -0.269225D+01
                81            82            83            84            85 
      1  -0.204612D+01  0.168047D+02 -0.893429D+01  0.896461D+01  0.766506D+01
      2  -0.269225D+01 -0.893429D+01  0.147172D+02 -0.758318D+00 -0.184044D+01
      3  -0.501644D+01  0.896461D+01 -0.758318D+00  0.109467D+02  0.572283D+01
                86            87            88            89            90 
      1  -0.184044D+01  0.572283D+01  0.103482D+02 -0.560899D+01  0.123530D+02
      2  -0.131929D+00  0.240773D+01 -0.560899D+01  0.139972D+02 -0.366867D+01
      3   0.240773D+01  0.627182D+01  0.123530D+02 -0.366867D+01  0.131009D+02
                91            92            93            94            95 
      1  -0.216978D+02  0.444140D+01 -0.177688D+02  0.992685D+01  0.149759D+00
      2   0.444140D+01 -0.552182D+01  0.104423D+01  0.149759D+00  0.437051D+01
      3  -0.177688D+02  0.104423D+01 -0.174770D+02  0.121005D+02  0.139023D+01
                96            97            98            99           100 
      1   0.121005D+02 -0.422328D+01  0.302753D+01 -0.342729D+01  0.109881D+02
      2   0.139023D+01  0.302753D+01 -0.134107D+01  0.289631D+01  0.206778D+01
      3   0.140647D+02 -0.342729D+01  0.289631D+01 -0.241596D+01  0.932116D+01
               101           102           103           104           105 
      1   0.206778D+01  0.932116D+01  0.254795D+02 -0.208872D+02  0.144391D+02
      2  -0.421635D+01 -0.991427D-01 -0.208872D+02  0.376630D+02 -0.813405D+01
      3  -0.991427D-01  0.832261D+01  0.144391D+02 -0.813405D+01  0.934365D+01
               106           107           108           109           110 
      1   0.184942D+02 -0.952328D+01  0.130390D+02 -0.755101D+01 -0.493985D+01
      2  -0.952328D+01  0.149844D+02 -0.338478D+01 -0.493985D+01  0.684196D+01
      3   0.130390D+02 -0.338478D+01  0.113310D+02 -0.793222D+01  0.708121D+00
               111           112           113           114           115 
      1  -0.793222D+01 -0.282907D+02  0.245671D+02 -0.169670D+02 -0.151551D+02
      2   0.708121D+00  0.245671D+02 -0.430880D+02  0.104363D+02  0.861977D+01
      3  -0.509600D+01 -0.169670D+02  0.104363D+02 -0.109415D+02 -0.112344D+02
               116           117           118           119           120 
      1   0.861977D+01 -0.112344D+02 -0.212398D+02  0.173778D+02 -0.111546D+02
      2  -0.121979D+02  0.251171D+01  0.173778D+02 -0.283341D+02  0.727879D+01
      3   0.251171D+01 -0.987606D+01 -0.111546D+02  0.727879D+01 -0.817860D+01
               121           122           123           124           125 
      1   0.622603D+01 -0.117463D+02  0.386288D+01 -0.896995D+01  0.840732D+01
      2  -0.117463D+02  0.137112D+02 -0.388845D+01  0.840732D+01 -0.973218D+01
      3   0.386288D+01 -0.388845D+01  0.318075D+01 -0.632280D+01  0.173698D+01
               126           127           128           129           130 
      1  -0.632280D+01  0.193651D+02 -0.966430D+01  0.632595D+01  0.384908D+00
      2   0.173698D+01 -0.966430D+01  0.625677D+02 -0.460277D+01  0.142226D+02
      3  -0.106847D+02  0.632595D+01 -0.460277D+01  0.224924D+01 -0.746368D+00
               131           132           133           134           135 
      1   0.142226D+02 -0.746368D+00  0.589195D+01  0.941421D+00  0.160120D+01
      2   0.172162D+02  0.424603D+01  0.941421D+00  0.229640D+02 -0.180197D+00
      3   0.424603D+01 -0.128104D+00  0.160120D+01 -0.180197D+00  0.572288D+00
               136           137           138           139           140 
      1  -0.197725D+02  0.691936D+01 -0.556114D+01 -0.553100D+00 -0.816426D+01
      2   0.691936D+01 -0.621534D+02  0.538778D+01 -0.816426D+01 -0.139485D+02
      3  -0.556114D+01  0.538778D+01 -0.135710D+01 -0.984553D+00 -0.196563D+01
               141           142           143           144           145 
      1  -0.984553D+00 -0.458498D+01  0.158954D+01 -0.450629D+01 -0.981416D+01
      2  -0.196563D+01  0.158954D+01 -0.217162D+02  0.113811D+01  0.589123D+00
      3  -0.707216D+00 -0.450629D+01  0.113811D+01 -0.231594D+01 -0.407915D+01
               146           147           148           149           150 
      1   0.589123D+00 -0.407915D+01  0.100602D+02  0.535499D-01  0.868344D+01
      2  -0.106491D+02  0.127454D-01  0.535499D-01  0.337358D+02 -0.160344D+01
      3   0.127454D-01 -0.426582D+01  0.868344D+01 -0.160344D+01  0.664844D+01
               151           152           153           154           155 
      1   0.268830D+01  0.209544D+01 -0.273617D+01  0.162501D+02 -0.399238D+01
      2   0.209544D+01  0.508316D+01  0.351018D+00 -0.399238D+01  0.131928D+02
      3  -0.273617D+01  0.351018D+00 -0.401038D+01  0.121848D+02 -0.190822D+01
               156           157           158           159           160 
      1   0.121848D+02 -0.116517D+02 -0.504455D+00 -0.532211D+01  0.428025D+01
      2  -0.190822D+01 -0.504455D+00 -0.187485D+02  0.266111D+01 -0.595592D-01
      3   0.940662D+01 -0.532211D+01  0.266111D+01 -0.384521D+01  0.314919D+01
               161           162           163           164           165 
      1  -0.595592D-01  0.314919D+01  0.350547D+02  0.179677D+02 -0.162490D+01
      2   0.254173D+01 -0.471483D+01  0.179677D+02  0.280532D+02  0.582397D-01
      3  -0.471483D+01 -0.468416D+00 -0.162490D+01  0.582397D-01  0.879937D+00
               166           167           168           169           170 
      1  -0.156730D+02 -0.144608D+02 -0.536285D+00 -0.422121D+01 -0.452693D+01
      2  -0.144608D+02 -0.468921D+02 -0.245157D+01 -0.452693D+01 -0.132167D+02
      3  -0.536285D+00 -0.245157D+01 -0.308866D+00  0.685298D+00 -0.122589D+01
               171           172           173           174           175 
      1   0.685298D+00 -0.314208D+02 -0.162248D+02  0.141783D+01  0.208060D+02
      2  -0.122589D+01 -0.162248D+02 -0.254912D+02  0.761212D+00  0.199218D+02
      3  -0.304102D+00  0.141783D+01  0.761212D+00  0.510541D+00 -0.264171D+00
               176           177           178           179           180 
      1   0.199218D+02 -0.264171D+00  0.390223D+01  0.442249D+01 -0.196098D+01
      2   0.558953D+02  0.194380D+01  0.442249D+01  0.119168D+02  0.236352D+01
      3   0.194380D+01  0.312868D+00 -0.196098D+01  0.236352D+01  0.113977D+01
               181           182           183           184           185 
      1   0.146969D+02  0.810587D+01 -0.616622D-02  0.207039D+02  0.316049D+01
      2   0.810587D+01  0.982236D+01 -0.145170D+01  0.316049D+01  0.240321D+02
      3  -0.616622D-02 -0.145170D+01 -0.113557D+01  0.263097D+01 -0.333099D+01
               186           187           188           189           190 
      1   0.263097D+01  0.903706D+01  0.140012D+01 -0.267892D+01 -0.314909D+01
      2  -0.333099D+01  0.140012D+01  0.531717D+01  0.307171D+01 -0.396385D+01
      3   0.170497D+01 -0.267892D+01  0.307171D+01  0.622104D+00  0.169936D+01
               191           192           193           194           195 
      1  -0.396385D+01  0.169936D+01 -0.211218D+02  0.269418D+01  0.216131D+00
      2   0.394794D+01 -0.128792D+01  0.269418D+01 -0.353531D+02  0.399933D+01
      3  -0.128792D+01 -0.108052D+01  0.216131D+00  0.399933D+01 -0.553843D+00
               196           197           198           199           200 
      1  -0.384742D+01  0.151801D+01 -0.433363D+01 -0.166305D+02 -0.122184D+02
      2   0.151801D+01 -0.604904D+01 -0.826857D+00 -0.122184D+02 -0.870566D+01
      3  -0.433363D+01 -0.826857D+00 -0.210209D+01 -0.121849D+00  0.826266D+00
               201           202           203           204           205 
      1  -0.121849D+00 -0.401209D+02 -0.689485D+01  0.874278D+01 -0.172348D+02
      2   0.826266D+00 -0.689485D+01 -0.102265D+02 -0.424224D+00 -0.183470D+01
      3  -0.343243D-01  0.874278D+01 -0.424224D+00 -0.206323D+01  0.294924D+01
               206           207           208           209           210 
      1  -0.183470D+01  0.294924D+01 -0.263417D+02 -0.140689D+02  0.364720D+01
      2  -0.313147D+01 -0.115969D+01 -0.140689D+02 -0.317552D+02 -0.181297D+01
      3  -0.115969D+01 -0.161016D+01  0.364720D+01 -0.181297D+01 -0.359175D+01
               211           212           213           214           215 
      1  -0.131301D+02 -0.154076D+02  0.230741D+01 -0.185850D+01 -0.226309D+01
      2  -0.154076D+02 -0.334870D+02 -0.203526D+01 -0.226309D+01 -0.869529D+01
      3   0.230741D+01 -0.203526D+01 -0.753339D+00 -0.444024D+01  0.826113D+00
               216           217           218           219           220 
      1  -0.444024D+01  0.408968D+02  0.125163D+02 -0.785649D+01 -0.643669D+01
      2   0.826113D+00  0.125163D+02  0.263020D+02  0.136762D+01  0.355591D+00
      3   0.207323D+01 -0.785649D+01  0.136762D+01  0.376953D+01  0.182603D+01
               221           222           223           224           225 
      1   0.355591D+00  0.182603D+01 -0.459838D+01 -0.406525D+00  0.330861D+01
      2   0.720703D+01 -0.159975D+01 -0.406525D+00 -0.125861D+01  0.479297D+01
      3  -0.159975D+01  0.211747D+00  0.330861D+01  0.479297D+01  0.181570D+01
               226           227           228           229           230 
      1  -0.890327D+01  0.359309D+01  0.445950D+01  0.449118D+02  0.947855D+01
      2   0.359309D+01  0.787418D+00 -0.359062D+00  0.947855D+01  0.127364D+02
      3   0.445950D+01 -0.359062D+00 -0.154527D+01 -0.977781D+01  0.502802D+00
               231           232           233           234           235 
      1  -0.977781D+01  0.161543D+02  0.284962D+01 -0.424118D+01 -0.520964D+01
      2   0.502802D+00  0.284962D+01  0.272356D+01  0.164615D+01 -0.551880D+01
      3   0.211166D+01 -0.424118D+01  0.164615D+01  0.246042D+01 -0.773461D+00
               236           237           238           239           240 
      1  -0.551880D+01 -0.773461D+00  0.345848D+01  0.213975D+01 -0.309329D+00
      2  -0.524489D+01  0.370867D+00  0.213975D+01  0.289376D+01 -0.204838D+01
      3   0.370867D+00  0.304641D+00 -0.309329D+00 -0.204838D+01  0.606855D+00
               241           242           243           244           245 
      1   0.408150D+01  0.210706D+01  0.136137D+01  0.116331D+02  0.272178D+01
      2   0.210706D+01 -0.668089D+00  0.245901D+01  0.272178D+01  0.654564D+01
      3   0.136137D+01  0.245901D+01  0.208782D+01 -0.160100D+01  0.727913D+00
               246           247           248           249           250 
      1  -0.160100D+01  0.481601D+01 -0.366715D+01 -0.521392D+01  0.717099D+00
      2   0.727913D+00 -0.366715D+01 -0.253846D+01 -0.723796D+00 -0.371377D+01
      3   0.277271D+01 -0.521392D+01 -0.723796D+00  0.127164D+01  0.232969D+01
               251           252           253           254           255 
      1  -0.371377D+01  0.232969D+01  0.190174D+02  0.259547D+01 -0.457630D+01
      2  -0.405218D+01  0.161779D+01  0.259547D+01  0.364198D+01  0.558902D+00
      3   0.161779D+01 -0.889822D+00 -0.457630D+01  0.558902D+00  0.828526D+00
               256           257           258           259           260 
      1  -0.423458D+01  0.175872D+01  0.127377D+01 -0.500845D+01 -0.978114D+00
      2   0.175872D+01  0.224339D+01  0.387002D+00 -0.978114D+00  0.142777D+01
      3   0.127377D+01  0.387002D+00  0.864389D+00  0.379270D+01  0.325399D+00
               261           262           263           264           265 
      1   0.379270D+01 -0.234556D+02  0.108601D+01  0.761519D+01 -0.125964D+01
      2   0.325399D+00  0.108601D+01 -0.296788D+01 -0.183954D+01 -0.670128D+00
      3  -0.165360D+01  0.761519D+01 -0.183954D+01 -0.323867D+01  0.147048D+01
               266           267           268           269           270 
      1  -0.670128D+00  0.147048D+01  0.266926D+01  0.101161D+01 -0.163597D+01
      2  -0.350268D+01  0.940603D+00  0.101161D+01  0.290724D+01 -0.208760D+01
      3   0.940603D+00 -0.127555D+01 -0.163597D+01 -0.208760D+01 -0.830805D+00
               271           272           273           274           275 
      1   0.344546D+01 -0.428470D+01  0.349096D-01 -0.290752D+01  0.446267D+01
      2  -0.428470D+01  0.626581D+01 -0.514449D-01  0.446267D+01 -0.878263D+01
      3   0.349096D-01 -0.514449D-01  0.836627D+00  0.852690D+00 -0.103599D+01
               276           277           278           279           280 
      1   0.852690D+00  0.829538D+00  0.164453D+00  0.802700D+00 -0.951373D+00
      2  -0.103599D+01  0.164453D+00 -0.140474D+01 -0.651182D+00 -0.651940D+00
      3  -0.345909D+00  0.802700D+00 -0.651182D+00 -0.746360D-01 -0.114495D+01
               281           282           283           284           285 
      1  -0.651940D+00 -0.114495D+01 -0.205827D+00 -0.122681D+01 -0.334971D+00
      2  -0.187824D+01 -0.667944D+00 -0.122681D+01 -0.101159D+02 -0.472282D+01
      3  -0.667944D+00 -0.136084D+01 -0.334971D+00 -0.472282D+01 -0.315409D+01
               286           287           288           289           290 
      1  -0.938762D+00 -0.122292D+01 -0.593282D+00 -0.119897D+02 -0.314862D+01
      2  -0.122292D+01 -0.512095D+01 -0.354699D+01 -0.314862D+01 -0.134531D+01
      3  -0.593282D+00 -0.354699D+01 -0.222159D+01 -0.483801D+01 -0.110240D+01
               291           292           293           294           295 
      1  -0.483801D+01 -0.166031D+01 -0.214523D+01 -0.110128D+01 -0.452421D+01
      2  -0.110240D+01 -0.214523D+01 -0.140234D+00 -0.852179D+00 -0.141759D+01
      3  -0.286972D+01 -0.110128D+01 -0.852179D+00 -0.912240D+00 -0.211911D+01
               296           297           298           299           300 
      1  -0.141759D+01 -0.211911D+01 -0.139335D+01 -0.240596D+01 -0.104025D+01
      2  -0.679307D+00 -0.107456D+01 -0.240596D+01 -0.162059D+01 -0.167174D+01
      3  -0.107456D+01 -0.128818D+01 -0.104025D+01 -0.167174D+01 -0.101471D+01
               301           302           303           304           305 
      1  -0.225158D+01 -0.356347D+01 -0.190670D+01 -0.112200D+01 -0.252980D+01
      2  -0.356347D+01 -0.972782D+01 -0.467684D+01 -0.252980D+01 -0.468763D+01
      3  -0.190670D+01 -0.467684D+01 -0.307269D+01 -0.137713D+01 -0.262580D+01
               306           307           308           309           310 
      1  -0.137713D+01 -0.888877D+01  0.578629D+01  0.385883D+00  0.628844D+01
      2  -0.262580D+01  0.578629D+01 -0.323399D+01 -0.319301D-01 -0.500036D+01
      3  -0.230106D+01  0.385883D+00 -0.319301D-01 -0.658809D+00 -0.579070D+00
               311           312           313           314           315 
      1  -0.500036D+01 -0.579070D+00  0.797704D+00 -0.728633D+00 -0.614569D+00
      2   0.563968D+01  0.611200D+00 -0.728633D+00  0.134290D+01  0.357289D-01
      3   0.611200D+00  0.593389D+00 -0.614569D+00  0.357289D-01  0.188733D+00
               316           317           318           319           320 
      1  -0.152758D+02 -0.766748D+00 -0.314828D+01 -0.209184D+01 -0.150136D+01
      2  -0.766748D+00 -0.224129D+00 -0.142745D+00 -0.150136D+01 -0.128562D+01
      3  -0.314828D+01 -0.142745D+00 -0.151434D+01 -0.852796D+00 -0.515890D+00
               321           322           323           324           325 
      1  -0.852796D+00 -0.420480D+01 -0.596679D+00 -0.121845D+01 -0.660205D+01
      2  -0.515890D+00 -0.596679D+00 -0.195915D+00  0.277806D+00  0.468255D+01
      3  -0.375047D+00 -0.121845D+01  0.277806D+00 -0.655830D+00  0.150901D+01
               326           327           328           329           330 
      1   0.468255D+01  0.150901D+01  0.341341D+01 -0.532614D+01 -0.148978D+01
      2  -0.544908D+01 -0.130779D+01 -0.532614D+01  0.641184D+01  0.160084D+01
      3  -0.130779D+01 -0.995071D+00 -0.148978D+01  0.160084D+01  0.110285D+01
               331           332           333           334           335 
      1   0.100447D+01 -0.190867D+01 -0.262205D+00  0.118759D+01  0.183945D+01
      2  -0.190867D+01  0.983155D+00  0.109851D+01  0.183945D+01  0.249669D+01
      3  -0.262205D+00  0.109851D+01  0.386248D+00  0.257322D+00  0.532902D+00
               336           337           338           339           340 
      1   0.257322D+00  0.491369D+00  0.342756D+00  0.206805D+00 -0.267148D+00
      2   0.532902D+00  0.342756D+00  0.135776D+02  0.375643D+01  0.356377D-01
      3   0.317909D+00  0.206805D+00  0.375643D+01  0.184369D+01 -0.222142D+00
               341           342           343           344           345 
      1   0.356377D-01 -0.222142D+00  0.135230D+01  0.205031D+01  0.486478D+00
      2   0.460868D+01  0.138615D+01  0.205031D+01  0.278752D+01  0.595994D+00
      3   0.138615D+01  0.983728D+00  0.486478D+00  0.595994D+00  0.402145D+00
               346           347           348           349           350 
      1   0.156255D+01  0.341646D+01  0.102586D+01  0.655739D+00  0.913910D+00
      2   0.341646D+01  0.112046D+02  0.292382D+01  0.913910D+00  0.363977D+01
      3   0.102586D+01  0.292382D+01  0.157470D+01  0.320919D+00  0.144888D+01
               351           352           353           354           355 
      1   0.320919D+00  0.101629D+02  0.465668D+01 -0.337129D+00  0.329315D+01
      2   0.144888D+01  0.465668D+01  0.297769D+01 -0.139685D+00  0.265959D+01
      3   0.858341D+00 -0.337129D+00 -0.139685D+00  0.809650D+00  0.387333D+00
               356           357           358           359           360 
      1   0.265959D+01  0.387333D+00  0.150098D+00  0.444929D+00  0.259694D+00
      2   0.239910D+01  0.189753D+00  0.444929D+00  0.538918D+00  0.246519D+00
      3   0.189753D+00  0.242530D+00  0.259694D+00  0.246519D+00  0.200528D+00
               361           362           363           364           365 
      1   0.117686D+02 -0.215999D+01 -0.245646D+01  0.111527D+01  0.574347D+01
      2  -0.215999D+01  0.231017D+01  0.145303D+00  0.574347D+01 -0.282080D+01
      3  -0.245646D+01  0.145303D+00  0.262329D+01 -0.393854D+00 -0.285443D+01
               366           367           368           369           370 
      1  -0.393854D+00 -0.580601D+00  0.668290D+00  0.557529D+01 -0.156295D+01
      2  -0.285443D+01  0.668290D+00 -0.159533D+01 -0.117170D+01 -0.127212D+01
      3  -0.806219D+00  0.557529D+01 -0.117170D+01 -0.674892D+01  0.364688D+00
               371           372           373           374           375 
      1  -0.127212D+01  0.364688D+00 -0.107214D+01 -0.109625D+01  0.663594D+00
      2  -0.197221D+01  0.524803D+00 -0.109625D+01 -0.321620D+01  0.118017D+00
      3   0.524803D+00 -0.429621D+00  0.663594D+00  0.118017D+00 -0.128682D+01
               376           377           378 
      1   0.143588D+00 -0.659166D-01 -0.136478D+00
      2  -0.659166D-01 -0.916931D+00 -0.698652D+00
      3  -0.136478D+00 -0.698652D+00 -0.575180D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.690977D+01 -0.116782D+02  0.231878D+01 -0.613391D+01  0.128543D+02
      2   0.629153D+01 -0.847217D+01  0.311122D+01 -0.440714D+01  0.747310D+01
      3  -0.268687D+01  0.443799D+00  0.788062D+00  0.549324D+01 -0.530639D+01
                 6             7             8             9            10 
      1  -0.172392D+01  0.496086D-01  0.290781D+01  0.344448D+01 -0.153501D+02
      2  -0.403815D+00  0.640262D+00  0.382004D-01  0.246574D+01  0.916751D+01
      3   0.129046D+01 -0.187110D+01 -0.228822D+01 -0.245426D+01  0.232879D+02
                11            12            13            14            15 
      1   0.454893D+01 -0.302759D+02 -0.116525D+02  0.147088D+02 -0.168374D+02
      2   0.617644D+01 -0.269413D+01  0.335876D+01  0.714261D+01  0.244618D+01
      3  -0.120245D+02  0.314270D+02  0.189677D+02 -0.182759D+02  0.147547D+02
                16            17            18            19            20 
      1  -0.161430D+02 -0.529963D+01 -0.671072D+01  0.137300D+02  0.711019D+01
      2  -0.978787D+01  0.808802D+01  0.194873D+01 -0.133875D+01 -0.230112D+01
      3   0.235908D+02 -0.435845D+01  0.209316D+02 -0.232557D+02 -0.480455D-01
                21            22            23            24            25 
      1   0.161678D+02  0.121988D+02  0.104127D+02 -0.381464D+01  0.658822D+01
      2   0.460540D+01 -0.230320D+01 -0.782244D+01 -0.387206D+01 -0.627725D+01
      3  -0.258603D+02 -0.889228D+01 -0.234242D+02  0.198118D+00 -0.198366D+02
                26            27            28            29            30 
      1  -0.151684D+01  0.214236D+02  0.266835D+01 -0.181001D+01  0.194982D+01
      2   0.613806D+01  0.461519D+01  0.171718D+00 -0.155652D+01 -0.817798D+00
      3   0.127238D+02 -0.297299D+02 -0.319380D+01  0.143771D+01 -0.385302D+01
                31            32            33            34            35 
      1   0.380189D+01  0.135074D+02  0.166128D+02  0.704473D+01  0.158773D+02
      2  -0.320780D+00  0.239884D+01  0.648812D+01 -0.357792D+01  0.121056D+01
      3  -0.135995D+01 -0.797314D+01 -0.130827D+02 -0.300630D+01 -0.946737D+01
                36            37            38            39            40 
      1   0.172048D+02  0.139254D+02  0.532856D+01  0.368209D+01  0.836723D+01
      2   0.283537D+01 -0.660072D+01 -0.255878D+01  0.670650D+00 -0.132997D+02
      3  -0.100325D+02 -0.235355D+02 -0.145829D+02 -0.831139D+01 -0.298300D+02
                41            42            43            44            45 
      1  -0.713845D+01  0.657850D+01  0.755045D+01 -0.480879D-01  0.274160D+02
      2  -0.535947D+00 -0.270017D+00  0.109082D+01 -0.577338D+00  0.906871D+01
      3   0.779316D+01 -0.122064D+02 -0.194930D+02  0.243430D+02 -0.237385D+02
                46            47            48            49            50 
      1   0.867913D+01  0.831682D+00  0.793048D+01  0.262303D+01  0.857989D+00
      2  -0.100070D+02  0.459398D+00 -0.131419D+01  0.378005D+01 -0.127639D+01
      3  -0.161014D+02 -0.259888D+00 -0.115179D+02  0.159385D+00 -0.142574D+01
                51            52            53            54            55 
      1   0.435528D+01  0.106311D+02  0.236255D+01  0.100225D+02 -0.221348D+02
      2   0.309729D+01 -0.756919D+01  0.302286D+00 -0.234540D+01 -0.106272D+02
      3  -0.272795D+01 -0.155611D+02 -0.261295D+01 -0.133608D+02  0.146454D+02
                56            57            58            59            60 
      1   0.150862D+02 -0.157333D+02 -0.203939D+02  0.235448D+01 -0.212623D+02
      2   0.128720D+02  0.379719D+01  0.207574D+01  0.100210D+02 -0.198186D+01
      3  -0.249468D+02  0.189036D+02  0.274218D+02 -0.548383D+01  0.190647D+02
                61            62            63            64            65 
      1  -0.260463D+02  0.236170D+02 -0.269500D+02 -0.554247D+01  0.493463D+01
      2  -0.361076D+01  0.551720D+01 -0.166088D+02 -0.809127D+01  0.583810D+01
      3   0.551642D+02 -0.366112D+02  0.376480D+02 -0.874508D+01  0.244285D+01
                66            67            68            69            70 
      1   0.395366D+00  0.724990D+01 -0.868624D+01 -0.347488D+01  0.837433D+00
      2   0.316893D+00  0.907701D+01 -0.870717D+01 -0.234256D+01 -0.126931D+01
      3  -0.179470D+00  0.839729D+01 -0.239543D+01  0.759340D+00 -0.110134D+01
                71            72            73            74            75 
      1  -0.313162D+01 -0.146751D+01  0.487546D+02 -0.224043D+02  0.486228D+02
      2  -0.931672D+00 -0.149425D+01  0.169576D+02 -0.625913D+01  0.149826D+02
      3   0.344582D+01  0.454755D+00 -0.831897D+02  0.440669D+02 -0.743306D+02
                76            77            78            79            80 
      1  -0.752278D+02 -0.316231D+02 -0.923740D+02 -0.277859D+01 -0.229613D+02
      2  -0.637755D+00 -0.212570D+02 -0.807967D+01 -0.374440D+01 -0.129860D+02
      3   0.124503D+03  0.409247D+01  0.141749D+03  0.168518D+02  0.312532D+02
                81            82            83            84            85 
      1  -0.154904D+02  0.410945D+02 -0.175809D+01  0.453796D+02  0.178602D+02
      2  -0.994977D+01  0.174978D+02  0.197503D+01  0.125066D+02  0.556939D+01
      3   0.300466D+02 -0.136809D+03  0.776169D+02 -0.768202D+02 -0.548460D+02
                86            87            88            89            90 
      1   0.245169D+02  0.227818D+02  0.600507D+02 -0.165487D+01  0.685581D+02
      2   0.152972D+02  0.686666D+01 -0.295127D+01  0.819755D+01  0.309935D+01
      3  -0.914470D+01 -0.524509D+02 -0.867309D+02  0.448980D+02 -0.109195D+03
                91            92            93            94            95 
      1  -0.469277D+02 -0.129576D+02 -0.528071D+02  0.355885D+02  0.446089D+01
      2   0.249184D+02 -0.165106D+02  0.164685D+02 -0.754127D+00  0.124583D+01
      3   0.910112D+02 -0.272382D+02  0.813949D+02 -0.587831D+02  0.205233D+01
                96            97            98            99           100 
      1   0.423319D+02  0.237920D+01 -0.905558D+01  0.245710D+01  0.155007D+02
      2  -0.461166D+01  0.431841D+01 -0.108364D+02 -0.206776D+01 -0.641606D+01
      3  -0.664064D+02  0.144456D+01  0.186665D+02  0.561173D+01 -0.327882D+02
               101           102           103           104           105 
      1   0.740687D+01  0.187048D+02  0.592604D+02 -0.355756D+02  0.310046D+02
      2   0.121398D+02 -0.153780D+01  0.822734D+01 -0.800154D+00  0.169438D+01
      3  -0.405238D+02 -0.390273D+02 -0.158994D+03  0.188976D+03 -0.725077D+02
               106           107           108           109           110 
      1   0.346323D+02 -0.447080D+00  0.271438D+02 -0.261697D+02 -0.154290D+02
      2  -0.170475D+02  0.208082D+01 -0.173034D+02  0.248956D+01 -0.162075D+02
      3  -0.823405D+02  0.108653D+03 -0.541236D+02  0.577061D+02  0.473643D+02
               111           112           113           114           115 
      1  -0.231685D+02 -0.895840D+02  0.607591D+02 -0.508577D+02 -0.476425D+02
      2  -0.600698D+01 -0.161958D+02  0.208472D+02 -0.447099D+01 -0.231530D+02
      3   0.519954D+02  0.227584D+03 -0.292887D+03  0.121073D+03  0.112049D+03
               116           117           118           119           120 
      1   0.289879D+02 -0.343152D+02 -0.583905D+02  0.390233D+02 -0.389799D+02
      2   0.109570D+02 -0.744786D+01 -0.106894D+02  0.908506D+01 -0.300139D+01
      3  -0.936108D+02  0.659927D+02  0.178692D+03 -0.184758D+03  0.971271D+02
               121           122           123           124           125 
      1   0.258398D+02 -0.290814D+02  0.143933D+02 -0.345325D+02  0.164607D+02
      2   0.110826D+02 -0.147267D+02  0.421452D+01 -0.170076D+02  0.111282D+02
      3  -0.557263D+02  0.116298D+03 -0.301296D+02  0.652803D+02 -0.749183D+02
               126           127           128           129           130 
      1  -0.477522D+02  0.399765D+02 -0.666960D+02  0.136118D+02 -0.569539D+01
      2  -0.952664D+01  0.903757D+01 -0.324762D+02  0.330428D+01 -0.981143D+01
      3   0.495203D+02 -0.587749D+02  0.327840D+03 -0.220514D+02  0.755405D+02
               131           132           133           134           135 
      1  -0.154005D+02 -0.634644D+00  0.527500D+01 -0.558846D+01 -0.486636D+01
      2  -0.163691D+02 -0.194144D+01 -0.186020D+02 -0.137768D+02 -0.680318D+01
      3   0.729462D+02  0.200774D+02  0.238868D+02  0.126253D+03  0.380867D+01
               136           137           138           139           140 
      1  -0.419564D+02  0.847640D+02 -0.154977D+02  0.545519D+01  0.168989D+02
      2  -0.911322D+01  0.618645D+02 -0.443468D+01  0.201695D+02  0.193100D+02
      3   0.628681D+02 -0.433206D+03  0.336725D+02 -0.571943D+02 -0.878465D+02
               141           142           143           144           145 
      1   0.726289D+00 -0.110263D+02  0.530453D+02 -0.160078D+01 -0.151668D+02
      2   0.636387D+01 -0.183183D+00  0.266402D+02  0.156641D+01 -0.946120D+01
      3  -0.148850D+02 -0.436139D+01 -0.146510D+03  0.375464D+01  0.469585D+02
               146           147           148           149           150 
      1   0.466707D+01 -0.139933D+02  0.310378D+02 -0.629929D+02  0.225704D+02
      2   0.100338D+02  0.514955D+01 -0.777563D+01 -0.437033D+02 -0.561757D+01
      3  -0.675393D+02  0.173380D+02 -0.228230D+02  0.234699D+03 -0.285308D+02
               151           152           153           154           155 
      1  -0.118113D+02  0.106694D+02 -0.969780D+01  0.523655D+02 -0.200540D+02
      2   0.102471D+02 -0.699858D+01  0.727917D+01  0.185993D+02 -0.191784D+02
      3  -0.437031D+00  0.407759D+02  0.136912D+02 -0.114733D+03  0.101637D+03
               156           157           158           159           160 
      1   0.365816D+02 -0.198178D+02  0.288220D+02 -0.183403D+02  0.101385D+02
      2   0.496667D+01 -0.196110D+01  0.784111D+01  0.164249D+01 -0.911653D+01
      3  -0.679253D+02  0.419549D+02 -0.116426D+03  0.318325D+02 -0.418075D+02
               161           162           163           164           165 
      1  -0.858991D+01  0.868221D+01 -0.106781D+02 -0.356184D+02  0.104036D+01
      2   0.250215D+02  0.894620D+01 -0.102913D+02 -0.109366D+02 -0.187727D+01
      3   0.160588D+02 -0.499494D+02  0.140612D+03  0.147441D+03 -0.230431D-01
               166           167           168           169           170 
      1  -0.169825D+01  0.337062D+02  0.146112D+01 -0.648880D+01  0.356481D+02
      2   0.175049D+02  0.238766D+02  0.237774D+01 -0.175814D+02  0.125411D+02
      3  -0.108286D+03 -0.217030D+03 -0.169999D+02 -0.915881D+01 -0.794441D+02
               171           172           173           174           175 
      1  -0.438944D+01  0.205800D+02  0.352694D+02  0.269630D+01 -0.163656D+01
      2   0.239516D+01  0.387729D+02  0.238323D+02  0.627480D+00 -0.113623D+02
      3  -0.158184D+01 -0.214524D+03 -0.192195D+03 -0.888306D+00  0.151741D+03
               176           177           178           179           180 
      1  -0.612896D+02  0.355163D+01  0.956223D+01 -0.205706D+00  0.112008D+01
      2  -0.488049D+02 -0.287193D+01 -0.101658D+02 -0.219548D+02 -0.646683D+01
      3   0.346212D+03  0.100248D+02  0.125521D+02  0.836156D+02  0.377247D+01
               181           182           183           184           185 
      1  -0.170686D+02 -0.202127D+02  0.182571D+00 -0.322895D+01 -0.356279D+02
      2  -0.242215D+02 -0.832265D+01  0.377509D+01 -0.174613D+02 -0.164393D+02
      3   0.121030D+03  0.900053D+02 -0.460033D+01  0.762980D+02  0.176148D+03
               186           187           188           189           190 
      1  -0.141603D+01  0.123794D+02 -0.234710D+01 -0.307616D+01  0.853243D+01
      2  -0.626336D+01 -0.348163D+01 -0.368508D+02 -0.924357D+01  0.335108D+01
      3  -0.124503D+02  0.277111D+02  0.467503D+02  0.170802D+02 -0.437105D+02
               191           192           193           194           195 
      1  -0.105359D+02  0.271479D+01 -0.204958D+02  0.435677D+02 -0.526937D+01
      2  -0.680596D+01  0.762903D+01 -0.106979D+02  0.367137D+02 -0.613048D+00
      3   0.341965D+02 -0.834543D+01 -0.563638D+01 -0.262790D+03  0.263025D+02
               196           197           198           199           200 
      1   0.714790D+00  0.311907D+02  0.592165D+01  0.498791D+01  0.147019D+02
      2   0.168789D+02  0.202955D+02  0.105078D+02 -0.663705D+01 -0.532616D+01
      3  -0.626293D+01 -0.379043D+02 -0.145059D+02 -0.495744D+02 -0.365253D+02
               201           202           203           204           205 
      1   0.155678D+00 -0.279478D-02  0.106052D+02  0.667113D-01 -0.170179D+01
      2  -0.844493D+00  0.136728D+02  0.280314D+00 -0.159830D+01 -0.694175D+01
      3  -0.258431D+01 -0.183895D+03 -0.456675D+02  0.402303D+02 -0.816008D+02
               206           207           208           209           210 
      1   0.197429D+02  0.397607D+01  0.532658D+01  0.335979D+02  0.924042D+01
      2  -0.103019D+01  0.281735D+01  0.224390D+02  0.281185D+02  0.445191D+01
      3  -0.415099D+02  0.148933D+02 -0.183744D+03 -0.196902D+03  0.120619D+02
               211           212           213           214           215 
      1  -0.582773D+01  0.327341D+02 -0.261307D+01  0.291513D+02  0.167321D+02
      2   0.116858D+02  0.376015D+02  0.827657D+00  0.471725D+00 -0.360346D+01
      3  -0.108135D+03 -0.225118D+03  0.294484D+01 -0.235994D+02 -0.476596D+02
               216           217           218           219           220 
      1  -0.467124D+01 -0.532233D+01 -0.329823D+02 -0.563350D+01  0.461792D+01
      2   0.210006D+00 -0.336227D+02 -0.132810D+02  0.242943D+01  0.899205D+01
      3  -0.213080D+02  0.271622D+03  0.135802D+03 -0.419027D+02 -0.324805D+02
               221           222           223           224           225 
      1   0.616175D+01 -0.561845D+01 -0.136200D+02 -0.170715D+02 -0.927432D+01
      2  -0.627338D+01 -0.311033D+01 -0.192654D+02 -0.133786D+02 -0.686661D+01
      3   0.466863D+02  0.891402D+01 -0.320734D+02  0.625082D+01  0.383017D+02
               226           227           228           229           230 
      1   0.119457D+01  0.115021D+01 -0.125685D+01  0.669348D+01 -0.235014D+02
      2  -0.394351D+01 -0.152909D+02 -0.349133D+01 -0.298330D+02 -0.158824D+01
      3  -0.382135D+02  0.723719D+02  0.189905D+02  0.294129D+03  0.707897D+02
               231           232           233           234           235 
      1   0.135443D+01 -0.118657D+00  0.302700D+00 -0.408233D+01 -0.348651D+01
      2   0.745437D+01 -0.289121D+02 -0.485614D+01  0.586716D+01  0.102172D+02
      3  -0.652982D+02  0.974052D+02  0.187095D+02 -0.228726D+02 -0.587391D+02
               236           237           238           239           240 
      1   0.184672D+01  0.176500D+01  0.110445D+01  0.253378D+01 -0.391858D+01
      2   0.147008D+02 -0.153920D+01  0.173154D+01 -0.322366D+01  0.115372D+01
      3  -0.729600D+02  0.644608D+01  0.260337D+02  0.349428D+01 -0.214789D+01
               241           242           243           244           245 
      1  -0.769901D+01 -0.809293D+01 -0.777084D+01 -0.147420D+00 -0.520306D+01
      2  -0.183288D+02  0.341028D+01  0.950922D+01 -0.416762D+01 -0.391913D+01
      3   0.266304D+02  0.251111D+02 -0.124102D+01  0.593437D+02  0.232201D+02
               246           247           248           249           250 
      1  -0.813687D+01  0.136437D+02  0.212618D+01 -0.135132D+01 -0.131135D+02
      2   0.730526D+01 -0.116703D+00 -0.214275D+01 -0.354701D+01  0.487310D+01
      3  -0.750504D+01  0.384973D+01 -0.191696D+02 -0.828085D+01 -0.267089D+01
               251           252           253           254           255 
      1   0.702028D+01  0.728432D+01  0.714485D+01  0.146939D+01 -0.435414D+01
      2   0.751712D+01 -0.337066D+01 -0.215213D+02 -0.168777D+01 -0.146855D+00
      3  -0.186259D+02  0.160830D+02  0.126189D+03  0.228896D+02 -0.413832D+02
               256           257           258           259           260 
      1   0.438974D+01 -0.115849D+02 -0.460854D+01 -0.960495D+01  0.775250D+01
      2  -0.290865D+01  0.465842D+01  0.744834D+01 -0.124593D+02 -0.412394D+01
      3   0.654819D+01  0.746268D+01 -0.146130D+02 -0.190860D+02 -0.193071D+02
               261           262           263           264           265 
      1   0.807443D+01 -0.100212D+02  0.216308D+01  0.516407D+01 -0.393914D+01
      2   0.817048D+01  0.854118D+01  0.776617D+01  0.696277D+00  0.460408D+01
      3   0.141156D+02 -0.122057D+03 -0.258344D+02  0.385502D+02 -0.166528D+01
               266           267           268           269           270 
      1  -0.208279D+01  0.187667D+00  0.183145D+01  0.573711D+01  0.396629D+01
      2  -0.101242D+01 -0.348654D+01 -0.124595D+02 -0.456438D+01 -0.268708D+01
      3   0.171307D+02  0.600459D+01 -0.111782D+01 -0.502656D+01  0.721443D+01
               271           272           273           274           275 
      1   0.218791D+01 -0.222424D+01  0.593874D+01  0.360136D+01 -0.378648D+01
      2   0.124667D+01 -0.111902D+01  0.272527D+01 -0.257550D+00  0.106917D+01
      3  -0.177395D+02  0.171295D+02 -0.220666D+01  0.153629D+02 -0.193650D+02
               276           277           278           279           280 
      1  -0.230775D+01  0.253982D+01  0.316494D+00 -0.352071D+00 -0.547483D+01
      2  -0.103380D+01  0.931369D+00  0.199260D+00  0.170173D+00 -0.130121D+01
      3  -0.572940D+01 -0.849831D+01  0.453249D+00 -0.499178D+01  0.656442D+01
               281           282           283           284           285 
      1  -0.121257D+01 -0.674093D+01 -0.921313D+00 -0.117367D+02 -0.125698D+02
      2   0.303037D+00 -0.401394D+00 -0.112095D+01  0.154431D+01  0.199562D+01
      3  -0.270860D+01  0.663390D+01  0.885310D+00 -0.276986D+01 -0.250533D+01
               286           287           288           289           290 
      1  -0.759792D+00 -0.899870D+01 -0.637942D+01 -0.831727D+01  0.633639D+00
      2  -0.193304D+01  0.458763D+00  0.121205D+01  0.140859D+01  0.911275D+00
      3   0.675680D+01  0.285712D+01 -0.173992D+00  0.131251D+02 -0.322842D+01
               291           292           293           294           295 
      1  -0.568175D+01  0.933189D-01 -0.190093D+01 -0.147053D+01 -0.137270D+01
      2   0.729953D+01  0.377885D+01 -0.107157D+01  0.258871D+01 -0.758619D+00
      3   0.596966D+01 -0.636854D+01  0.749016D+01 -0.776690D+00  0.417568D+01
               296           297           298           299           300 
      1  -0.188087D+01 -0.601251D+00  0.660895D+00 -0.332738D+01 -0.941488D+00
      2   0.110846D+01  0.296834D+01  0.271904D+01  0.171923D+01  0.330555D+01
      3   0.105709D+01 -0.137071D+01 -0.662030D+01  0.302820D+01 -0.479533D+01
               301           302           303           304           305 
      1  -0.112314D+01  0.530107D+00 -0.521932D+01  0.234329D+00  0.162158D+01
      2   0.134924D+01  0.121442D+02  0.818737D+01  0.220316D+01  0.293335D+01
      3  -0.184311D+01 -0.266669D+02 -0.118245D+02 -0.521108D+01 -0.906674D+01
               306           307           308           309           310 
      1  -0.376677D+01 -0.340735D+01  0.402705D+00  0.265678D+01  0.320637D+01
      2   0.472506D+01 -0.370482D+01 -0.175255D+00  0.439068D+01  0.347628D+01
      3  -0.444283D+01  0.124299D+02 -0.544267D+01  0.704495D+00 -0.946680D+01
               311           312           313           314           315 
      1  -0.434194D+01 -0.347907D+01  0.303331D+00  0.286513D+00 -0.285229D+00
      2  -0.630086D+01 -0.472398D+01  0.249521D+00  0.136124D+01 -0.396013D+00
      3   0.224739D+02  0.301255D+01 -0.101586D+01  0.733664D+01 -0.212192D+01
               316           317           318           319           320 
      1   0.139404D+01  0.754087D+00  0.301491D+00  0.105326D+01  0.266634D+01
      2   0.692082D+01  0.128684D+00  0.867298D+01  0.410196D+01  0.411658D+01
      3  -0.157024D+02 -0.325591D+01 -0.397316D+01 -0.824456D+01 -0.117093D+02
               321           322           323           324           325 
      1   0.254593D+00  0.228869D+00  0.359426D+00 -0.616679D+00 -0.181223D+01
      2   0.271891D+01  0.401086D+00 -0.138614D+01  0.182307D+01  0.250388D+01
      3  -0.400275D+01 -0.711267D+01 -0.487951D+01  0.152044D+01 -0.169273D+02
               326           327           328           329           330 
      1   0.233567D+01  0.433724D+01  0.399818D+01 -0.111081D+01 -0.463325D+01
      2   0.423120D+00  0.344499D+01  0.177657D+01  0.237300D+00 -0.301661D+01
      3  -0.995160D+00  0.182226D+01 -0.104918D+01 -0.404046D+01 -0.197287D+01
               331           332           333           334           335 
      1  -0.254220D+01 -0.136397D+01 -0.139498D+01 -0.108213D+01 -0.136190D+01
      2  -0.113501D+01 -0.276356D+00 -0.151919D+01 -0.270864D+01 -0.255042D+01
      3  -0.192204D+01 -0.687545D+01  0.369624D+01  0.132284D+02  0.127406D+02
               336           337           338           339           340 
      1  -0.149910D+01 -0.112311D+01 -0.735131D+01 -0.858844D+01  0.281446D+01
      2  -0.885520D-01 -0.161117D+01 -0.695375D+01 -0.248669D+01  0.747156D+00
      3   0.143689D+01  0.520240D+01  0.253992D+02  0.892052D+01 -0.158882D+01
               341           342           343           344           345 
      1   0.149931D+01 -0.289275D+01 -0.158800D+01 -0.119746D+01 -0.161594D+01
      2  -0.116521D+01 -0.303024D+00  0.993504D+00  0.339656D-01  0.579477D+00
      3   0.785565D+01 -0.162438D+00  0.801402D-01  0.281137D+01  0.200244D+01
               346           347           348           349           350 
      1  -0.279889D+01 -0.711771D+01 -0.823212D+01 -0.751071D+00 -0.176948D+01
      2  -0.284218D-01  0.372776D+01  0.283144D+01 -0.557895D+00  0.627817D+00
      3   0.504815D+01 -0.199035D+01 -0.270490D+00  0.278193D+01 -0.327663D+01
               351           352           353           354           355 
      1  -0.296345D+01 -0.243026D+00 -0.250932D+00 -0.315250D+01 -0.249705D+01
      2   0.645190D+00 -0.103268D+01 -0.467710D+00  0.460703D+01  0.270966D+01
      3  -0.125038D+00  0.286569D+02  0.732627D+01 -0.144287D+01  0.475654D+01
               356           357           358           359           360 
      1  -0.133046D+01 -0.125245D+01  0.359685D+00  0.104210D-01 -0.518893D+00
      2   0.110478D+01  0.107435D+01 -0.880588D+00 -0.530551D+00  0.494878D+00
      3   0.280654D+01  0.188695D+01 -0.391785D+01  0.751787D+00  0.305252D+00
               361           362           363           364           365 
      1   0.345439D+01 -0.580948D+01 -0.134645D+01 -0.180635D+01  0.848801D+01
      2   0.576391D+01  0.116596D+01  0.161867D+02 -0.360617D+01 -0.609905D+01
      3   0.937255D+01 -0.324848D+02  0.131345D+01  0.592046D+01  0.287754D+02
               366           367           368           369           370 
      1  -0.409427D+01 -0.746177D+01  0.149324D+02  0.683188D+01  0.121929D+01
      2  -0.417535D+01 -0.149123D+01 -0.486107D+01 -0.112482D+02 -0.210686D+01
      3   0.610937D+01  0.921331D+01  0.156035D+02  0.145492D+02  0.318187D+01
               371           372           373           374           375 
      1   0.469729D+01 -0.723241D+00  0.151521D+01  0.789445D+01 -0.159658D+01
      2  -0.205037D+01 -0.482418D+00 -0.225344D+01 -0.354341D+01 -0.953146D+00
      3   0.462924D+01 -0.115190D+01  0.890302D+01  0.159472D+02 -0.295159D+01
               376           377           378 
      1   0.678889D+00  0.416116D+01  0.460254D+00
      2  -0.198325D+01 -0.185381D+01 -0.908800D-01
      3  -0.411024D+01  0.529718D+00  0.448996D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287935D+01 -0.387395D+01  0.241065D+01  0.153109D+01 -0.155735D-02
      2  -0.221394D+01  0.214735D+01  0.299970D+01  0.188695D+01 -0.186761D+01
      3  -0.665411D+00  0.172660D+01 -0.541035D+01 -0.341804D+01  0.186917D+01
      4   0.401167D+00 -0.827962D+00  0.735119D+00  0.177560D+00 -0.139377D+00
      5  -0.838125D+01  0.817886D+01  0.265508D+01  0.748775D+01 -0.875472D+01
      6   0.386385D+01 -0.580629D+01 -0.275402D+00 -0.313937D+01  0.706675D+01
                 6             7             8             9            10 
      1  -0.335294D+01  0.166722D+01 -0.353078D+01 -0.213180D+00 -0.137834D+02
      2  -0.466594D+01  0.149984D+01 -0.192029D+01 -0.196320D+01  0.161142D+02
      3   0.801888D+01 -0.316706D+01  0.545106D+01  0.217638D+01 -0.233077D+01
      4   0.803672D+00  0.161360D+01  0.582804D+00  0.413061D+00  0.234515D+02
      5  -0.421639D+01  0.170122D+01 -0.160549D+01 -0.456671D+01 -0.268964D+02
      6   0.286717D+01 -0.465835D+00  0.285934D+01  0.424958D+01  0.143650D+02
                11            12            13            14            15 
      1   0.141623D+02  0.110228D+02 -0.153103D+02  0.105744D+02 -0.935491D+01
      2  -0.145199D+00  0.326023D+02  0.188132D+02 -0.543634D+01  0.149221D+02
      3  -0.140171D+02 -0.436252D+02 -0.350292D+01 -0.513808D+01 -0.556723D+01
      4   0.970669D+00  0.945051D+01  0.909369D+01  0.173763D+02  0.890971D+01
      5   0.838047D+01  0.286045D+01 -0.144614D+02  0.122509D+01  0.602417D-01
      6  -0.710237D+01  0.169188D+02  0.139957D+02  0.526860D+01  0.124099D+02
                16            17            18            19            20 
      1  -0.143773D+02  0.100875D+02 -0.407745D+01  0.228319D+02 -0.200547D+02
      2   0.362761D+02 -0.978253D+01  0.276279D+02 -0.195427D+02  0.122370D+02
      3  -0.218988D+02 -0.304934D+00 -0.235504D+02 -0.328922D+01  0.781768D+01
      4   0.172758D+02  0.130222D+01  0.281104D+02 -0.286410D+02  0.679772D+01
      5  -0.141994D+02  0.176783D+02 -0.253530D+02  0.258887D+02 -0.233885D+02
      6   0.265015D+02 -0.118409D+02  0.223497D+02 -0.235839D+02  0.174621D+02
                21            22            23            24            25 
      1   0.153282D+02 -0.133624D+01  0.223260D+02  0.121839D+02  0.554681D+01
      2   0.252559D+01 -0.135515D+02 -0.137036D+02 -0.600674D+01 -0.205727D+02
      3  -0.178538D+02  0.148878D+02 -0.862239D+01 -0.617717D+01  0.150259D+02
      4  -0.210597D+02  0.147090D+02 -0.316613D+01  0.264889D+01 -0.177662D+02
      5   0.386550D+01  0.103151D+02  0.126213D+02  0.149772D+02  0.218711D+02
      6  -0.386996D+01  0.924911D+01 -0.122099D+02 -0.358354D+01 -0.216121D+02
                26            27            28            29            30 
      1  -0.185795D+01 -0.199808D+02 -0.189084D+01  0.347439D+00 -0.255651D+01
      2   0.123890D+02 -0.411195D+02 -0.819510D+01 -0.125559D+01 -0.989069D+01
      3  -0.105310D+02  0.611003D+02  0.100859D+02  0.908149D+00  0.124472D+02
      4  -0.289256D+01 -0.183638D+02  0.535804D+00  0.241733D+01  0.711164D+00
      5  -0.165324D+02  0.900541D+01  0.694919D+01  0.410118D+01  0.130792D+02
      6   0.314059D+01 -0.433262D+02  0.143118D+01  0.177046D+01 -0.186770D+01
                31            32            33            34            35 
      1  -0.381897D+01 -0.128016D+02 -0.228115D+02 -0.463240D+01 -0.110001D+02
      2  -0.592820D+01 -0.124471D+02 -0.261511D+02 -0.105291D+02 -0.151710D+02
      3   0.974717D+01  0.252487D+02  0.489627D+02  0.151615D+02  0.261711D+02
      4   0.426991D+01  0.743715D+01  0.912063D+01  0.375482D+01  0.573953D+01
      5   0.535512D+01  0.664768D+01  0.899967D+01  0.107457D+02  0.830821D+01
      6   0.675767D+01  0.177385D+02  0.198116D+02  0.636496D+01  0.122069D+02
                36            37            38            39            40 
      1  -0.252893D+02  0.346417D+00  0.131920D+02 -0.642210D+01  0.331420D+02
      2  -0.339509D+02 -0.449757D+01 -0.218091D+02 -0.720887D+01 -0.212925D+02
      3   0.592402D+02  0.415116D+01  0.861717D+01  0.136310D+02 -0.118495D+02
      4   0.961535D+01  0.356276D+01  0.673401D+01  0.683332D+01 -0.352660D+02
      5   0.178451D+02 -0.685897D+01  0.148195D+02 -0.145856D+01  0.185064D+02
      6   0.211711D+02  0.102557D+02 -0.277951D+01  0.860871D+01 -0.243279D+02
                41            42            43            44            45 
      1  -0.214965D+02  0.117312D+02 -0.170856D+02 -0.337568D+01 -0.411131D+02
      2   0.108715D+02  0.131578D+02  0.180132D+01  0.644633D+01 -0.133167D+02
      3   0.106250D+02 -0.248890D+02  0.152843D+02 -0.307065D+01  0.544298D+02
      4   0.915694D+01 -0.183975D+02 -0.304919D+02  0.176924D+02 -0.213064D+02
      5  -0.227664D+02 -0.312291D+01  0.545968D+01 -0.183867D+02  0.823237D+01
      6   0.191476D+02  0.303538D+01 -0.338635D+02  0.337808D+02 -0.426725D+02
                46            47            48            49            50 
      1   0.256810D+02 -0.933733D+00  0.956112D+01 -0.336713D+01  0.761268D+00
      2  -0.449792D+02  0.536220D+01 -0.362335D+02 -0.238689D+01 -0.335707D+01
      3   0.192981D+02 -0.442847D+01  0.266724D+02  0.575402D+01  0.259580D+01
      4  -0.251913D+02  0.892296D+01 -0.190089D+02  0.997591D+01 -0.393278D+01
      5   0.646427D+02 -0.103880D+02  0.530508D+02 -0.250756D+01  0.775601D+01
      6  -0.247829D+02  0.978730D+01 -0.237668D+02  0.790175D+01 -0.409001D+01
                51            52            53            54            55 
      1  -0.320360D+01  0.122575D+02  0.680429D+00  0.490923D+01  0.159866D+02
      2  -0.639274D+01 -0.368129D+02  0.160901D+01 -0.362597D+02 -0.515131D+01
      3   0.959634D+01  0.245554D+02 -0.228944D+01  0.313505D+02 -0.108353D+02
      4   0.671088D+01 -0.128036D+02  0.436549D+01 -0.118878D+02  0.196129D+02
      5   0.141155D+01  0.484098D+02 -0.474998D+01  0.472013D+02 -0.405733D+01
      6   0.544928D+01 -0.153337D+02  0.604167D+01 -0.164938D+02  0.171658D+02
                56            57            58            59            60 
      1   0.100888D+02  0.111304D+02  0.260034D+01 -0.128605D+02  0.151036D+02
      2  -0.811958D+01 -0.793918D+01  0.242828D+02 -0.722200D+00  0.531921D+01
      3  -0.196925D+01 -0.319123D+01 -0.268831D+02  0.135827D+02 -0.204228D+02
      4  -0.128562D+02  0.169492D+02  0.979144D+01  0.964013D+00  0.247101D+02
      5   0.135349D+02  0.669359D+01 -0.232042D+02  0.182578D+02 -0.188630D+02
      6  -0.223402D+02  0.908427D+01  0.264660D+02 -0.322480D+02  0.365918D+02
                61            62            63            64            65 
      1  -0.179871D+02  0.283078D+02  0.134510D+02  0.130670D+02 -0.413780D+01
      2   0.298684D+02 -0.301081D+02  0.123516D+02  0.115890D+02 -0.165303D+02
      3  -0.118813D+02  0.180029D+01 -0.258027D+02 -0.246560D+02  0.206681D+02
      4   0.374031D+02  0.248313D+01  0.177041D+02 -0.472512D+02  0.420408D+02
      5  -0.189500D+02  0.167963D+02 -0.819822D+01  0.155459D+02 -0.130597D+02
      6   0.268694D+02  0.815635D-01  0.131177D+02 -0.199398D+02  0.217890D+02
                66            67            68            69            70 
      1  -0.312849D+00 -0.581016D+01 -0.262014D+01  0.207522D+01  0.171593D+01
      2   0.250533D+01 -0.202886D+02  0.322225D+02 -0.377164D+01 -0.377152D+01
      3  -0.219248D+01  0.260988D+02 -0.296024D+02  0.169641D+01  0.205559D+01
      4  -0.935868D+01  0.441504D+02 -0.475583D+02  0.579859D+01 -0.591300D+00
      5   0.696560D+01 -0.943124D+01  0.956208D+01 -0.486988D+01  0.623803D+01
      6  -0.941611D+01  0.178965D+02 -0.225459D+02  0.753923D+01 -0.569369D+01
                71            72            73            74            75 
      1  -0.172819D+01 -0.177185D+00 -0.218091D+02 -0.119607D+02 -0.214745D+02
      2   0.709926D+01  0.302484D+01 -0.223056D+02  0.125097D+02 -0.233807D+02
      3  -0.537107D+01 -0.284765D+01  0.441147D+02 -0.549059D+00  0.448552D+02
      4  -0.269652D+01 -0.629910D+01 -0.487273D+02  0.943010D+01 -0.340161D+02
      5  -0.480270D+01  0.226419D+01  0.201680D+02 -0.137157D+02  0.162481D+02
      6   0.355687D+01 -0.256947D+01 -0.389450D+02  0.397368D+01 -0.309526D+02
                76            77            78            79            80 
      1   0.378898D+02 -0.374990D+02  0.225576D+02  0.279853D+01 -0.121708D+02
      2   0.411869D+02  0.580890D+02  0.808796D+02  0.973909D+01  0.253192D+02
      3  -0.790767D+02 -0.205900D+02 -0.103437D+03 -0.125376D+02 -0.131484D+02
      4   0.439548D+02 -0.280234D+02  0.432553D+02 -0.301207D+01 -0.712696D+01
      5  -0.390994D+02 -0.658870D+01 -0.401051D+02 -0.497900D+01 -0.124503D+02
      6   0.546025D+02 -0.164619D+01  0.633190D+02  0.155284D+01  0.171836D+02
                81            82            83            84            85 
      1  -0.772144D+01 -0.505028D+02  0.775506D+02 -0.882335D+01 -0.183911D+02
      2   0.399489D+02 -0.326086D+01 -0.734956D+02 -0.342588D+02 -0.110807D+02
      3  -0.322274D+02  0.537637D+02 -0.405503D+01  0.430821D+02  0.294718D+02
      4  -0.210382D+01 -0.416715D+02  0.184008D+02 -0.209703D+02 -0.237817D+02
      5  -0.179682D+02  0.115262D+02  0.105405D+02  0.239354D+02  0.103396D+02
      6   0.110777D+02 -0.205559D+02 -0.119355D+02 -0.430890D+02 -0.952218D+01
                86            87            88            89            90 
      1  -0.271198D+01  0.428561D+01 -0.470656D+02  0.784770D+02 -0.276537D+02
      2  -0.479934D+01 -0.471756D+02  0.215884D+01 -0.991977D+02 -0.251695D+02
      3   0.751131D+01  0.428900D+02  0.449068D+02  0.207208D+02  0.528232D+02
      4   0.294128D+02 -0.610258D+01 -0.148247D+02  0.147223D+02 -0.273369D+02
      5   0.744437D+01  0.173339D+02  0.276201D+02  0.777461D+01  0.209553D+02
      6  -0.208454D+02 -0.110926D+02 -0.444635D+02  0.255232D+02 -0.544494D+02
                91            92            93            94            95 
      1   0.641813D+02 -0.298295D+02  0.373583D+02 -0.537728D+01  0.256264D+01
      2   0.192302D+02  0.332119D+02  0.489722D+02 -0.483259D+02 -0.152714D+02
      3  -0.834115D+02 -0.338240D+01 -0.863305D+02  0.537032D+02  0.127087D+02
      4   0.590721D+02 -0.275997D+02  0.447554D+02 -0.347195D+02  0.531877D+00
      5  -0.346372D+02 -0.638880D+01 -0.290024D+02  0.256616D+02 -0.720367D+01
      6   0.525859D+02 -0.372039D+01  0.587943D+02 -0.466036D+02  0.985889D+00
                96            97            98            99           100 
      1  -0.679112D+01  0.330223D+02 -0.226013D+02  0.225204D+02 -0.394393D+02
      2  -0.589381D+02 -0.185449D+02  0.140840D+02 -0.727697D+01 -0.943642D+01
      3   0.657293D+02 -0.144774D+02  0.851729D+01 -0.152434D+02  0.488757D+02
      4  -0.415738D+02  0.834883D+01 -0.273788D+02  0.518953D+01 -0.302687D+02
      5   0.329078D+02 -0.354472D+00 -0.381936D+01 -0.464703D+01  0.253238D+01
      6  -0.469530D+02  0.449351D+01 -0.338605D+01  0.476882D+01 -0.250370D+02
               101           102           103           104           105 
      1  -0.119948D+02 -0.220441D+02 -0.111626D+03  0.149585D+03 -0.686179D+02
      2  -0.184445D+01 -0.211539D+02  0.520264D+02 -0.116253D+03  0.298467D+02
      3   0.138393D+02  0.431980D+02  0.595991D+02 -0.333315D+02  0.387711D+02
      4   0.393993D+02 -0.221121D+02 -0.585051D+02 -0.243127D+02 -0.436609D+02
      5   0.174345D+02  0.147746D+02 -0.217180D+01 -0.348657D+02 -0.359619D+01
      6  -0.880353D-01 -0.249139D+02 -0.542081D+02  0.158717D+02 -0.298122D+02
               106           107           108           109           110 
      1  -0.855770D+02  0.658163D+02 -0.463490D+02 -0.118983D+02  0.558330D+02
      2   0.268588D+02 -0.499188D+02 -0.532042D+01  0.488856D+02 -0.676613D+02
      3   0.587182D+02 -0.158975D+02  0.516694D+02 -0.369873D+02  0.118283D+02
      4  -0.424667D+02  0.100515D+02 -0.310411D+02  0.631670D+02  0.406224D+02
      5   0.554345D+01 -0.414235D+01 -0.167546D+01  0.149543D+02  0.185006D+02
      6  -0.386972D+02  0.550240D+01 -0.373049D+02  0.394999D+02 -0.104721D+02
               111           112           113           114           115 
      1   0.319117D+02  0.142558D+03 -0.181094D+03  0.772026D+02  0.600436D+02
      2  -0.332644D+01 -0.694117D+02  0.152502D+03 -0.185857D+02 -0.118892D+02
      3  -0.285852D+02 -0.731464D+02  0.285924D+02 -0.586169D+02 -0.481544D+02
      4   0.452883D+02  0.599533D+02 -0.104469D+02  0.368907D+02  0.454089D+02
      5   0.100670D+02 -0.623275D+01  0.241093D+02 -0.156957D+01  0.290362D+01
      6   0.222402D+02  0.524136D+02 -0.179427D+02  0.349869D+02  0.416492D+02
               116           117           118           119           120 
      1  -0.464103D+02  0.344174D+02  0.972807D+02 -0.137715D+03  0.434486D+02
      2   0.184730D+02 -0.252302D+01 -0.450041D+02  0.148160D+03  0.189781D+01
      3   0.279374D+02 -0.318944D+02 -0.522767D+02 -0.104459D+02 -0.453464D+02
      4  -0.654044D+01  0.412728D+02  0.497245D+02 -0.500576D+02  0.155476D+02
      5   0.248024D+02  0.100489D+01 -0.202582D+02 -0.947987D+01 -0.176539D+02
      6   0.325764D+01  0.359069D+02  0.248628D+02 -0.301482D+02  0.226476D+02
               121           122           123           124           125 
      1  -0.556219D+02  0.782312D+02 -0.143377D+02  0.482760D+02 -0.381927D+02
      2   0.492230D+02 -0.578215D+02  0.380740D+01 -0.353355D+02  0.326083D+02
      3   0.639893D+01 -0.204096D+02  0.105303D+02 -0.129405D+02  0.558436D+01
      4   0.991331D+01  0.294722D+02 -0.196468D+01  0.155151D+02 -0.392828D+02
      5   0.618323D+01 -0.832703D+01  0.668066D+01 -0.675071D+00 -0.538159D+01
      6  -0.113652D+02 -0.110705D+02 -0.169752D+02  0.239406D+02 -0.642072D+01
               126           127           128           129           130 
      1   0.116108D+02 -0.112144D+03  0.125327D+03 -0.356119D+02 -0.204508D+02
      2   0.203876D+01  0.726410D+02 -0.507544D+02  0.285255D+02  0.163663D+02
      3  -0.136496D+02  0.395029D+02 -0.745731D+02  0.708635D+01  0.408450D+01
      4   0.985831D+01 -0.807068D+01 -0.139616D+03 -0.779604D+01  0.525016D+01
      5  -0.170377D+02 -0.120555D+02 -0.901174D+02 -0.514617D+01 -0.944813D+01
      6   0.478998D+02 -0.164013D+02  0.652528D+00 -0.700714D+01  0.220362D+02
               131           132           133           134           135 
      1  -0.526113D+02  0.128514D+02 -0.322179D+02  0.212656D+02 -0.125034D+02
      2   0.568392D+02 -0.199383D+02  0.266961D+02  0.392598D+01  0.448037D+01
      3  -0.422786D+01  0.708688D+01  0.552188D+01 -0.251916D+02  0.802299D+01
      4  -0.445948D+02  0.137576D+02  0.614507D+01 -0.539552D+02  0.462299D+00
      5  -0.325910D+02  0.607435D+01 -0.113866D+02 -0.365243D+02 -0.847095D+01
      6  -0.102768D+02 -0.162133D+01  0.577048D+00 -0.521543D+00  0.318846D+00
               136           137           138           139           140 
      1   0.140907D+03 -0.131498D+03  0.367764D+02 -0.405374D+02  0.602007D+02
      2  -0.832255D+02  0.547285D+02 -0.167448D+02  0.316201D+02 -0.840207D+02
      3  -0.576815D+02  0.767690D+02 -0.200316D+02  0.891723D+01  0.238200D+02
      4  -0.106907D+02  0.129102D+03 -0.566180D+01  0.635953D+02  0.740033D+02
      5   0.998894D+01  0.921713D+02 -0.259348D+01  0.177503D+02  0.504914D+02
      6   0.566727D+01  0.386947D+01  0.779292D+01  0.244942D+02 -0.871852D+00
               141           142           143           144           145 
      1   0.316574D+00  0.580165D+01 -0.246365D+02  0.211198D+02  0.280387D+02
      2   0.816598D+00 -0.637359D+01 -0.448157D+01 -0.249573D+02  0.587354D+01
      3  -0.113317D+01  0.571936D+00  0.291180D+02  0.383753D+01 -0.339122D+02
      4   0.266417D+02  0.115633D+02  0.593633D+02  0.152511D+02  0.467531D+02
      5   0.102930D+02  0.313061D+02  0.488406D+02  0.140596D+02 -0.151824D+02
      6   0.717199D+01  0.180428D+02  0.195747D+01  0.619132D+00  0.148454D+02
               146           147           148           149           150 
      1  -0.279341D+02  0.268149D+01 -0.645916D+01  0.240032D+02 -0.339468D+02
      2   0.142797D+02 -0.121646D+00 -0.115316D+02  0.366897D+02  0.279639D+02
      3   0.136544D+02 -0.255985D+01  0.179907D+02 -0.606929D+02  0.598287D+01
      4   0.464902D+02  0.205186D+02 -0.632741D+02 -0.117694D+03 -0.429009D+02
      5   0.135003D+02  0.994954D+01 -0.345660D+02 -0.799388D+02 -0.273685D+02
      6   0.927760D+01  0.178159D+02 -0.466519D+02 -0.633708D+01 -0.254143D+02
               151           152           153           154           155 
      1  -0.223484D+02 -0.147073D+02  0.391955D+01 -0.453106D+02  0.155042D+02
      2  -0.111996D+02  0.231430D+02 -0.189241D+02 -0.877089D+01  0.428505D+02
      3   0.335480D+02 -0.843568D+01  0.150045D+02  0.540815D+02 -0.583547D+02
      4  -0.410701D+02 -0.261126D+02  0.246971D+01 -0.781587D+02 -0.451701D+02
      5   0.209142D+02 -0.210213D+02  0.207397D+02 -0.205804D+02 -0.525719D+02
      6   0.589139D+01  0.301165D+01  0.725041D+01 -0.526421D+02 -0.245764D+01
               156           157           158           159           160 
      1  -0.426587D+02  0.521434D+02 -0.103538D+02  0.365509D+02 -0.247568D+01
      2   0.201508D+02 -0.218457D+02 -0.152487D+01 -0.300559D+02 -0.207182D+02
      3   0.225080D+02 -0.302977D+02  0.118787D+02 -0.649494D+01  0.231939D+02
      4  -0.599169D+02  0.612068D+02  0.648106D+02  0.111580D+02 -0.310515D+02
      5  -0.259753D+02  0.159219D+02  0.216608D+02  0.139588D+02  0.405323D+01
      6  -0.366215D+02  0.151454D+02 -0.151543D+02  0.753077D+01 -0.170856D+02
               161           162           163           164           165 
      1  -0.114110D+02 -0.295267D+02 -0.920803D+02 -0.841964D+02 -0.406777D+01
      2  -0.127871D+02 -0.481150D+01  0.614449D+02  0.953604D+02  0.546861D+01
      3   0.241982D+02  0.343382D+02  0.306354D+02 -0.111640D+02 -0.140085D+01
      4  -0.299694D+02 -0.397632D+01  0.606749D+02 -0.167358D+02 -0.151551D+02
      5   0.118478D+02  0.121757D+02 -0.539321D+02 -0.592484D+02 -0.207151D+01
      6   0.205190D+02  0.321521D+01 -0.984619D+01  0.266519D+02  0.306691D+01
               166           167           168           169           170 
      1   0.830756D+02  0.432330D+02  0.155729D+01  0.251451D+02  0.124938D+02
      2  -0.626491D+02 -0.885103D+02  0.347534D+01 -0.206546D+02 -0.190218D+02
      3  -0.204265D+02  0.452772D+02 -0.503263D+01 -0.449050D+01  0.652800D+01
      4  -0.201276D+02  0.868145D+02 -0.979172D+01 -0.292923D+01  0.266318D+02
      5   0.318241D+02  0.727974D+02 -0.483852D+01  0.609482D+01  0.255579D+02
      6  -0.193862D+02 -0.878641D+01 -0.265196D+01 -0.149610D+01 -0.162546D+01
               171           172           173           174           175 
      1  -0.739852D+01  0.142714D+03  0.215242D+02 -0.445741D+01 -0.468258D+02
      2  -0.318621D+01 -0.907797D+02 -0.279602D+02  0.938840D+01  0.405509D+02
      3   0.105847D+02 -0.519341D+02  0.643597D+01 -0.493099D+01  0.627487D+01
      4   0.175344D+01 -0.845911D+02 -0.560074D+01 -0.715458D+01  0.425364D+01
      5   0.315150D+01  0.454156D+02  0.432609D+02 -0.750083D+01 -0.527894D+02
      6  -0.404884D+01 -0.172601D+02 -0.500521D+01 -0.389982D+01  0.143997D+01
               176           177           178           179           180 
      1  -0.104818D+03 -0.681281D+01  0.378582D+01 -0.259891D+02 -0.178429D+01
      2   0.163056D+03  0.135831D+02  0.621141D+01  0.418740D+02  0.223910D+01
      3  -0.582382D+02 -0.677028D+01 -0.999723D+01 -0.158849D+02 -0.454811D+00
      4  -0.103625D+03 -0.943820D+01 -0.762936D+01 -0.224920D+02 -0.198105D+02
      5  -0.104369D+03 -0.155329D+01  0.238813D+01 -0.390712D+02 -0.109515D+02
      6   0.430871D+02  0.298018D+01 -0.140925D+02  0.262703D+02  0.470061D+00
               181           182           183           184           185 
      1  -0.850571D+02  0.963094D+01  0.364154D+01 -0.138186D+03  0.272270D+02
      2   0.475537D+02 -0.162203D+02 -0.688977D+01  0.995095D+02 -0.207469D+02
      3   0.375034D+02  0.658938D+01  0.324823D+01  0.386767D+02 -0.648009D+01
      4   0.574294D+02  0.161252D+02  0.147031D+02  0.412892D+02 -0.250448D+02
      5  -0.274574D+02 -0.988962D+01  0.117722D+02 -0.349412D+02 -0.191704D+02
      6   0.176069D+02 -0.691765D+01 -0.166603D+01  0.250003D+02 -0.112619D+02
               186           187           188           189           190 
      1  -0.130708D+02 -0.700042D+02  0.241768D+02  0.165171D+02 -0.131115D+02
      2   0.512751D+01  0.494450D+02 -0.241360D+02 -0.145917D+02  0.577495D+01
      3   0.794326D+01  0.205592D+02 -0.408698D-01 -0.192538D+01  0.733656D+01
      4   0.301157D+02  0.143826D+02  0.126153D+02 -0.165246D+02  0.231710D+00
      5  -0.107419D+02  0.271049D+02 -0.479086D+02 -0.142061D+02 -0.131359D+02
      6   0.108252D+02 -0.305720D+01  0.160247D+02 -0.172805D+01  0.334637D+01
               191           192           193           194           195 
      1   0.446649D+02 -0.221627D+02  0.155736D+03 -0.961869D+02 -0.380337D+01
      2  -0.370551D+02  0.117732D+02 -0.983135D+02  0.680586D+02  0.121165D+02
      3  -0.760978D+01  0.103894D+02 -0.574227D+02  0.281283D+02 -0.831314D+01
      4   0.147702D+02  0.615529D+01 -0.767887D+02  0.558604D+02 -0.271060D+02
      5  -0.367106D+01  0.116943D+02 -0.151554D+02  0.395375D+02 -0.206248D+01
      6  -0.142254D+01  0.161628D+01 -0.188094D+02  0.750721D+01 -0.268712D+01
               196           197           198           199           200 
      1   0.771018D+01 -0.307944D+02  0.209444D+02  0.372694D+02  0.522278D+02
      2  -0.116479D+02  0.191759D+02 -0.224163D+02 -0.391642D+02 -0.514581D+02
      3   0.393775D+01  0.116184D+02  0.147188D+01  0.189489D+01 -0.769707D+00
      4  -0.428439D+02  0.706938D+01 -0.981002D+01 -0.294167D+02 -0.936561D+01
      5   0.467794D+02  0.223856D+02  0.214374D+02  0.263291D+02  0.356512D+02
      6  -0.156587D+02  0.207553D+01 -0.115388D+02  0.768973D+01 -0.179533D+02
               201           202           203           204           205 
      1  -0.342079D+01  0.233962D+01  0.300052D+02  0.922707D+01  0.145983D+01
      2  -0.157752D+01  0.224243D+02 -0.417144D+02 -0.173125D+02  0.110061D+02
      3   0.499831D+01 -0.247639D+02  0.117092D+02  0.808542D+01 -0.124660D+02
      4   0.125056D+02 -0.132083D+03 -0.258268D+02  0.280500D+02 -0.531770D+02
      5   0.431956D+01  0.451192D+02  0.778880D+01 -0.933249D+01  0.195702D+02
      6  -0.564852D+01  0.252666D+02 -0.770002D+01 -0.559218D+01  0.965083D+01
               206           207           208           209           210 
      1   0.752440D+01  0.316155D+01  0.990220D+01  0.113241D+03  0.161294D+02
      2  -0.747985D+01 -0.120575D+02 -0.134984D+02 -0.138851D+03 -0.126483D+02
      3  -0.445532D-01  0.889598D+01  0.359617D+01  0.256099D+02 -0.348104D+01
      4  -0.616353D+01  0.851307D+01 -0.453965D+02  0.280443D+02  0.194512D+02
      5  -0.911835D+00  0.115197D+00  0.460781D+02  0.497818D+02  0.937444D+01
      6  -0.577957D+00 -0.694381D+01  0.400594D+01 -0.348191D+02 -0.227531D+02
               211           212           213           214           215 
      1   0.112084D+02  0.802655D+02  0.535015D+01 -0.719167D+01  0.235848D+02
      2  -0.237189D+02 -0.118768D+03 -0.108388D+02  0.203843D+02 -0.422109D+02
      3   0.125106D+02  0.385021D+02  0.548865D+01 -0.131926D+02  0.186261D+02
      4   0.793399D+00  0.563857D+02  0.250017D+02 -0.460958D+01  0.256340D+02
      5   0.248303D+02  0.760206D+02  0.362967D+01  0.339871D+02  0.120332D+02
      6   0.155012D+02 -0.441016D+02 -0.472129D+01 -0.353518D+02  0.412878D+01
               216           217           218           219           220 
      1  -0.355502D+01  0.156006D+02 -0.844133D+02 -0.123779D+02 -0.212644D+02
      2  -0.306536D+01 -0.295283D+02  0.109025D+03  0.158338D+02  0.251632D+02
      3   0.662038D+01  0.139278D+02 -0.246116D+02 -0.345587D+01 -0.389874D+01
      4  -0.236109D+02  0.113609D+03 -0.438469D+02 -0.414483D+02 -0.109795D+02
      5  -0.816464D+01 -0.544985D+02 -0.567740D+02 -0.447473D+01  0.137993D+02
      6   0.806716D+01 -0.228978D+02  0.308026D+02  0.211254D+02  0.316166D+01
               221           222           223           224           225 
      1  -0.101181D+02  0.169273D+02 -0.113393D+02  0.101721D+02 -0.237881D+02
      2   0.188171D+02 -0.246818D+02  0.512996D+01 -0.355311D+02  0.126610D+02
      3  -0.869900D+01  0.775443D+01  0.620935D+01  0.253590D+02  0.111271D+02
      4  -0.235226D+02  0.593282D+01 -0.104236D+02  0.482882D+00  0.303273D+01
      5  -0.487683D+01 -0.493427D+01  0.520861D+01 -0.139890D+02 -0.106328D+02
      6  -0.230924D+02  0.172851D+01  0.206808D+02  0.404905D+02  0.154246D+02
               226           227           228           229           230 
      1  -0.684756D+02  0.134495D+02  0.120942D+02  0.922392D+01 -0.484503D+02
      2   0.670505D+02 -0.147538D+02 -0.144563D+02 -0.336213D+02  0.663413D+02
      3   0.142511D+01  0.130436D+01  0.236213D+01  0.243974D+02 -0.178910D+02
      4  -0.207640D+02  0.423874D+02  0.259070D+02  0.135875D+03  0.235988D+02
      5   0.178898D+02  0.133602D+02 -0.694159D+01 -0.562382D+02 -0.167992D+02
      6   0.167158D+02 -0.678581D+01 -0.488976D+01 -0.288330D+02  0.126325D+02
               231           232           233           234           235 
      1  -0.664646D+01  0.104951D+02 -0.654209D+01 -0.189977D+02  0.510823D+02
      2   0.250332D+02 -0.176758D+02  0.939301D+01  0.175974D+02 -0.443515D+02
      3  -0.183868D+02  0.718075D+01 -0.285093D+01  0.140036D+01 -0.673086D+01
      4  -0.310398D+02  0.478886D+02  0.661888D+01 -0.129911D+02 -0.345144D+02
      5   0.102898D+02 -0.222132D+02 -0.390927D+01  0.769482D+01 -0.416624D+01
      6   0.819131D+01 -0.121562D+02  0.173893D+02  0.848533D+01 -0.271650D+01
               236           237           238           239           240 
      1  -0.280971D+01 -0.136731D+02 -0.327176D+01  0.498462D+01  0.150838D+02
      2  -0.117211D+02  0.651134D+01  0.526668D+01 -0.773620D-02 -0.199195D+02
      3   0.145308D+02  0.716172D+01 -0.199492D+01 -0.497688D+01  0.483570D+01
      4  -0.661843D+02 -0.148822D+02  0.284548D+02  0.127903D+02 -0.942459D+01
      5  -0.127142D+02 -0.212339D+01  0.290039D+01 -0.849389D+01 -0.718322D+00
      6   0.988693D+01  0.828464D+00 -0.791101D+01 -0.239989D+02  0.434398D+01
               241           242           243           244           245 
      1  -0.933089D+01  0.185842D+02 -0.891169D+01 -0.656439D+01 -0.273432D+02
      2   0.580564D+01 -0.249329D+02  0.731745D+01 -0.321518D+01  0.346583D+02
      3   0.352525D+01  0.634866D+01  0.159424D+01  0.977957D+01 -0.731510D+01
      4   0.247345D+02  0.940658D+01  0.138066D+02  0.259548D+02  0.358349D+02
      5   0.903862D+01  0.111748D+02  0.954643D+01 -0.151471D+02  0.762279D+01
      6   0.704150D+01  0.196073D+02  0.111039D+02 -0.213864D+00  0.496427D+00
               246           247           248           249           250 
      1  -0.595408D+01  0.512704D+02 -0.208095D+02 -0.208516D+02  0.377011D+02
      2   0.999758D+01 -0.540472D+02  0.475249D+01  0.163054D+02 -0.367662D+02
      3  -0.404350D+01  0.277683D+01  0.160570D+02  0.454620D+01 -0.934839D+00
      4   0.506631D+01 -0.219777D+02 -0.494608D+02 -0.260799D+02 -0.193977D+02
      5   0.194941D+02 -0.413823D+02 -0.160674D+02  0.747424D+01  0.137559D+02
      6   0.108408D+02 -0.218593D+02 -0.209304D+01  0.591016D+01  0.164571D+02
               251           252           253           254           255 
      1   0.209097D+01 -0.756074D+01  0.606242D+01  0.204019D+02 -0.388536D+01
      2  -0.116915D+02  0.235750D+01 -0.141686D+02  0.380366D+01  0.458126D+01
      3   0.960055D+01  0.520324D+01  0.810618D+01 -0.242056D+02 -0.695907D+00
      4  -0.414984D+02  0.109977D+02  0.801083D+02  0.232837D+02 -0.865617D+01
      5   0.276471D+01 -0.527706D+01 -0.155058D+02  0.508081D+01 -0.503100D+01
      6   0.169886D+02 -0.938426D+01 -0.524293D+01  0.681505D+01  0.577701D+01
               256           257           258           259           260 
      1  -0.284976D+02  0.880953D+01  0.105249D+02 -0.401716D+01 -0.371735D+01
      2   0.348332D+02  0.647627D+00  0.217923D+01  0.139534D+02  0.573663D+01
      3  -0.633561D+01 -0.945716D+01 -0.127041D+02 -0.993620D+01 -0.201928D+01
      4  -0.139275D+00  0.502860D+02  0.173154D+02 -0.199775D+02  0.163108D+02
      5   0.584633D+01  0.170574D+02  0.120316D+02  0.153855D+02  0.759389D+01
      6   0.130453D+02 -0.411321D+01 -0.280928D+01  0.180941D+02  0.173606D+01
               261           262           263           264           265 
      1   0.440395D+01 -0.326496D+02 -0.124368D+02  0.104654D+02 -0.108524D+02
      2  -0.834719D+01  0.431345D+02 -0.382792D+01 -0.218316D+02  0.750844D+01
      3   0.394325D+01 -0.104849D+02  0.162647D+02  0.113662D+02  0.334398D+01
      4   0.138742D+02 -0.810129D+02 -0.316060D+02  0.474181D+01  0.129752D+02
      5  -0.252527D+01  0.362493D+02 -0.227859D+02 -0.148860D+02  0.147921D+02
      6  -0.120498D+02  0.461694D+01  0.364345D+01 -0.354732D+01 -0.244576D+01
               266           267           268           269           270 
      1   0.921994D+01  0.716656D+01 -0.118211D+01  0.938401D+01 -0.980913D+01
      2  -0.179643D+02 -0.699464D+01 -0.148027D+01 -0.542250D+01 -0.889745D+01
      3   0.874431D+01 -0.171925D+00  0.266238D+01 -0.396151D+01  0.187066D+02
      4  -0.102721D+02 -0.476036D+00  0.164623D+02  0.787739D+01 -0.867776D+01
      5   0.384492D+01 -0.960612D+01  0.236816D+01 -0.569258D+01  0.120485D+01
      6  -0.782687D+01  0.462001D+00 -0.214138D+01  0.986934D+00 -0.829260D+01
               271           272           273           274           275 
      1  -0.938127D+01  0.210409D+02 -0.152494D+01  0.155759D+02 -0.365895D+02
      2   0.302859D+02 -0.500632D+02 -0.638975D+00 -0.364064D+02  0.778132D+02
      3  -0.209047D+02  0.290223D+02  0.216392D+01  0.208305D+02 -0.412238D+02
      4  -0.332423D+02  0.426501D+02  0.204541D+01  0.303034D+02 -0.470927D+02
      5  -0.267787D+01  0.424745D+01  0.328992D+01  0.569438D+01 -0.770738D+01
      6  -0.329046D+01  0.512467D+01 -0.722758D+01 -0.391390D+01  0.248973D+01
               276           277           278           279           280 
      1  -0.419755D+01  0.201375D+01 -0.814572D+01 -0.219855D+01 -0.187480D+01
      2   0.635525D+01 -0.628669D+01  0.133752D+02  0.319508D+01  0.572803D+01
      3  -0.215769D+01  0.427294D+01 -0.522951D+01 -0.996529D+00 -0.385323D+01
      4  -0.544457D+01 -0.353285D+01 -0.795228D+00 -0.694322D+01  0.818831D+01
      5  -0.254256D+01  0.291981D+01 -0.397463D+01 -0.252193D+00  0.145308D+01
      6   0.531411D+01 -0.546301D+01  0.770487D+01  0.140980D+01  0.895617D+01
               281           282           283           284           285 
      1  -0.818009D+01 -0.314883D+01 -0.681780D+01 -0.592755D+02 -0.293234D+02
      2   0.118604D+02  0.495797D+01  0.100464D+02  0.938344D+02  0.394338D+02
      3  -0.368035D+01 -0.180914D+01 -0.322858D+01 -0.345589D+02 -0.101104D+02
      4   0.142669D+02  0.100740D+02  0.774430D+01  0.252003D+02  0.973714D+01
      5   0.381600D+01  0.270737D+01  0.174757D+01 -0.124600D+01 -0.155694D+00
      6   0.876633D+01  0.101042D+02  0.529331D+01  0.484084D+02  0.322551D+02
               286           287           288           289           290 
      1  -0.524903D+01 -0.312104D+02 -0.217324D+02  0.103018D+03  0.243869D+02
      2   0.111082D+02  0.439154D+02  0.261601D+02 -0.640915D+02 -0.129717D+02
      3  -0.585918D+01 -0.127050D+02 -0.442775D+01 -0.389270D+02 -0.114152D+02
      4   0.101776D+02  0.176877D+02  0.116296D+02  0.622359D+02  0.244056D+02
      5   0.184068D+01  0.164690D+01  0.328575D+01  0.546962D+02  0.136104D+02
      6   0.436437D+01  0.346727D+02  0.240503D+02  0.162526D+02  0.660483D+01
               291           292           293           294           295 
      1   0.363804D+02  0.662150D+01  0.149394D+02  0.445195D+01  0.343778D+02
      2  -0.275789D+02 -0.145889D+01 -0.588964D+01 -0.264694D+01 -0.213870D+02
      3  -0.880147D+01 -0.516262D+01 -0.904979D+01 -0.180500D+01 -0.129908D+02
      4   0.236403D+02  0.247239D+02  0.129977D+02  0.116725D+02  0.264789D+02
      5   0.318834D+02  0.118269D+02  0.677167D+01  0.765192D+01  0.249997D+02
      6   0.978763D+01  0.950901D+01  0.431257D+01  0.642329D+01  0.784496D+01
               296           297           298           299           300 
      1   0.816027D+01  0.158446D+02 -0.149257D+00  0.542311D+01 -0.790853D+00
      2  -0.480425D+01 -0.121080D+02  0.576334D+01  0.190354D+01  0.161827D+01
      3  -0.335603D+01 -0.373654D+01 -0.561408D+01 -0.732666D+01 -0.827417D+00
      4   0.919645D+01  0.124066D+02  0.197775D+02  0.258853D+02  0.148095D+02
      5   0.903872D+01  0.169216D+02  0.914191D+01  0.127660D+02  0.101930D+02
      6   0.511405D+01  0.556812D+01  0.104534D+02  0.131892D+02  0.857927D+01
               301           302           303           304           305 
      1  -0.566153D+01 -0.339387D+02 -0.165603D+02 -0.513948D+01 -0.101000D+02
      2   0.174157D+02  0.538562D+02  0.198062D+02  0.729523D+01  0.202407D+02
      3  -0.117542D+02 -0.199175D+02 -0.324591D+01 -0.215576D+01 -0.101407D+02
      4   0.335508D+02  0.675304D+02  0.325919D+02  0.208926D+02  0.384485D+02
      5   0.117862D+02  0.249834D+02  0.170413D+02  0.114351D+02  0.146673D+02
      6   0.187742D+02  0.495046D+02  0.304623D+02  0.137925D+02  0.271908D+02
               306           307           308           309           310 
      1  -0.920572D+01  0.754912D+02 -0.429454D+02 -0.392059D+01 -0.415857D+02
      2   0.933941D+01 -0.282223D+02  0.136965D+02  0.226362D+01  0.734961D+01
      3  -0.133693D+00 -0.472689D+02  0.292490D+02  0.165697D+01  0.342361D+02
      4   0.210443D+02 -0.742791D+02  0.502228D+02  0.188550D+01  0.642590D+02
      5   0.133891D+02 -0.999747D+01  0.212092D+01  0.848305D+01  0.934132D+01
      6   0.221628D+02 -0.116221D+01  0.192149D+01 -0.387071D+01 -0.752030D+00
               311           312           313           314           315 
      1   0.288742D+02  0.420946D+01 -0.570424D+01  0.210146D+01  0.273616D+01
      2   0.194529D+01 -0.197541D+01  0.138173D+01  0.158166D+01 -0.623992D+00
      3  -0.308195D+02 -0.223406D+01  0.432250D+01 -0.368313D+01 -0.211217D+01
      4  -0.599923D+02 -0.501512D+01  0.105240D+02 -0.114390D+02 -0.488828D+01
      5  -0.112999D+02 -0.802064D+01  0.742411D+01 -0.171743D+01 -0.124199D+01
      6   0.187517D+01  0.477196D+01 -0.337548D+01  0.186801D+01  0.190792D+01
               316           317           318           319           320 
      1   0.160004D+03  0.883415D+01  0.296995D+02  0.203558D+02  0.120107D+02
      2  -0.986598D+02 -0.562669D+01 -0.211451D+02 -0.141075D+02 -0.760210D+01
      3  -0.613441D+02 -0.320746D+01 -0.855442D+01 -0.624830D+01 -0.440858D+01
      4   0.954198D+00  0.747033D+01 -0.144460D+01  0.189539D+02  0.588112D+01
      5   0.408579D+02  0.144291D+01  0.201820D+02  0.105761D+02  0.813052D+01
      6  -0.650756D+01  0.875535D+00 -0.239084D+01  0.167524D+01 -0.268282D+00
               321           322           323           324           325 
      1   0.660258D+01  0.424544D+02  0.415620D+01  0.130409D+02  0.179745D+02
      2  -0.547771D+01 -0.290978D+02 -0.198941D+01 -0.944188D+01  0.120508D+02
      3  -0.112487D+01 -0.133566D+02 -0.216680D+01 -0.359907D+01 -0.300253D+02
      4   0.400464D+01  0.325802D+01  0.307266D+01  0.539795D+00 -0.675536D+02
      5   0.518481D+01  0.168957D+02 -0.195653D+01  0.823517D+01 -0.152239D+02
      6   0.105341D+01 -0.106160D+01  0.194891D+01  0.604403D+00  0.111573D+02
               326           327           328           329           330 
      1  -0.478732D+01 -0.276792D+01  0.469876D+01 -0.861047D+01 -0.237153D+01
      2  -0.224979D+02 -0.242718D+01 -0.279658D+02  0.409528D+02  0.772944D+01
      3   0.272852D+02  0.519510D+01  0.232670D+02 -0.323423D+02 -0.535791D+01
      4   0.599204D+02  0.160335D+02  0.510867D+02 -0.659191D+02 -0.166677D+02
      5   0.144170D+02  0.103002D+02  0.141460D+02 -0.129120D+02 -0.825600D+01
      6  -0.120059D+02 -0.910156D+01 -0.147595D+02  0.159131D+02  0.110264D+02
               331           332           333           334           335 
      1   0.876620D+00 -0.311526D+00  0.293437D+00 -0.812433D+01 -0.173114D+02
      2  -0.935892D+01  0.549661D+01  0.311504D+01  0.118805D+02  0.227160D+02
      3   0.848230D+01 -0.518509D+01 -0.340848D+01 -0.375621D+01 -0.540460D+01
      4   0.158289D+02 -0.161544D+02 -0.791645D+01  0.469891D+01  0.158506D+02
      5   0.596981D+01 -0.759212D+01 -0.507360D+01 -0.881017D+00  0.248059D+01
      6  -0.349954D+01  0.945082D+01  0.491206D+01  0.450332D+01  0.737089D+01
               336           337           338           339           340 
      1  -0.441168D+01 -0.360840D+01 -0.855570D+02 -0.241312D+02 -0.498369D+00
      2   0.509259D+01  0.375267D+01  0.127353D+03  0.305637D+02  0.270391D+01
      3  -0.680912D+00 -0.144272D+00 -0.417962D+02 -0.643251D+01 -0.220554D+01
      4   0.337843D+01  0.650084D+01 -0.133959D+02 -0.384932D+01  0.440062D+00
      5   0.215082D+01  0.113723D+01 -0.585817D+01 -0.335601D+01  0.290404D+01
      6   0.396299D+01  0.255866D+01  0.467554D+02  0.225906D+02 -0.263528D+01
               341           342           343           344           345 
      1  -0.286752D+02 -0.106243D+02 -0.397570D+01 -0.654290D+01 -0.126518D+01
      2   0.412208D+02  0.132878D+02  0.130783D+02  0.185263D+02  0.373845D+01
      3  -0.125456D+02 -0.266350D+01 -0.910257D+01 -0.119834D+02 -0.247327D+01
      4  -0.688025D+01 -0.135968D+01  0.147649D+02  0.265457D+02  0.650731D+01
      5  -0.125832D+01 -0.399615D+00  0.246586D+01  0.510391D+01  0.382923D+01
      6   0.184387D+02  0.115963D+02  0.503576D+01  0.461191D+01  0.307191D+01
               346           347           348           349           350 
      1  -0.139157D+02 -0.570205D+02 -0.150412D+02 -0.349065D+01 -0.197496D+02
      2   0.270800D+02  0.980059D+02  0.222846D+02  0.576042D+01  0.297895D+02
      3  -0.131643D+02 -0.409854D+02 -0.724336D+01 -0.226977D+01 -0.100400D+02
      4   0.227164D+02  0.519754D+02  0.140524D+02  0.689630D+01  0.154981D+02
      5   0.597605D+01  0.134467D+02  0.638206D+01  0.208288D+01  0.527484D+01
      6   0.905474D+01  0.277366D+02  0.164982D+02  0.462219D+01  0.151659D+02
               351           352           353           354           355 
      1  -0.898743D+01  0.505250D+02  0.184744D+02 -0.487209D+00  0.100133D+02
      2   0.118088D+02 -0.137690D+02  0.986158D+00  0.355608D+00  0.589131D+01
      3  -0.282133D+01 -0.367561D+02 -0.194605D+02  0.131601D+00 -0.159046D+02
      4   0.602411D+01  0.719016D+02  0.405084D+02 -0.161061D+01  0.328386D+02
      5   0.325129D+01 -0.244953D+01 -0.854137D+00  0.739738D+01  0.258360D+01
      6   0.935577D+01 -0.573705D+01 -0.358596D+01  0.529808D+01  0.554524D+00
               356           357           358           359           360 
      1   0.643175D+01  0.707762D+00 -0.190678D+01 -0.611306D+00  0.251653D+01
      2   0.725042D+01 -0.304179D+00  0.367505D+01  0.198823D+01 -0.816729D+00
      3  -0.136822D+02 -0.403583D+00 -0.176826D+01 -0.137693D+01 -0.169980D+01
      4   0.269424D+02  0.219623D+01  0.190521D+01  0.407150D+01  0.389860D+01
      5   0.128064D+01  0.193352D+01  0.361207D+01  0.259942D+01  0.109115D+01
      6  -0.135335D+01  0.180488D+01  0.169362D+01  0.203253D+01  0.859866D+00
               361           362           363           364           365 
      1   0.127195D+03 -0.160145D+02 -0.231973D+02 -0.127209D+02  0.202120D+02
      2  -0.767019D+02  0.925846D+01  0.199183D+02  0.757308D+01 -0.138391D+02
      3  -0.504936D+02  0.675605D+01  0.327908D+01  0.514780D+01 -0.637287D+01
      4  -0.129195D+02  0.343736D+02  0.571518D+01  0.653966D+02 -0.195566D+02
      5  -0.493320D+02  0.781894D+01  0.445028D+02  0.498668D+01 -0.273083D+02
      6   0.143302D+01 -0.955548D+01 -0.965850D+00 -0.224228D+02  0.603771D+01
               366           367           368           369           370 
      1  -0.272902D+00  0.112530D+01  0.886513D+00  0.349731D+01 -0.535296D+01
      2  -0.515370D+01  0.213761D+02 -0.403161D+01 -0.457225D+02  0.242237D+01
      3   0.542660D+01 -0.225014D+02  0.314510D+01  0.422252D+02  0.293059D+01
      4  -0.268722D+02  0.977007D+01 -0.149204D+02 -0.153822D+01 -0.293244D+01
      5  -0.102194D+02  0.627446D+02 -0.104734D+02 -0.521468D+02  0.534668D+01
      6   0.243045D+02 -0.771737D+00  0.177179D+02 -0.497324D+01  0.446775D+00
               371           372           373           374           375 
      1  -0.303724D+01  0.112071D+01 -0.634786D+01 -0.734125D+01 -0.640815D+00
      2  -0.337345D+00 -0.209760D+01  0.351715D+01 -0.101283D+01 -0.477368D+01
      3   0.337458D+01  0.976890D+00  0.283071D+01  0.835408D+01  0.541449D+01
      4  -0.194271D+01  0.105283D+01 -0.176720D+01 -0.433457D+01 -0.463269D+00
      5   0.551266D+01 -0.220851D+01  0.519417D+01  0.570891D+01 -0.426706D+01
      6  -0.442339D+00 -0.220495D+00 -0.747493D-01  0.170486D+01  0.906176D+00
               376           377           378 
      1   0.674730D+00  0.459913D-01 -0.484621D+01
      2   0.958210D-01 -0.373885D+01 -0.784092D+00
      3  -0.770551D+00  0.369286D+01  0.563031D+01
      4   0.193062D+01 -0.626186D+00 -0.148131D+01
      5  -0.170379D+00 -0.139736D+01  0.788497D+00
      6  -0.632713D+00  0.121069D+01  0.206167D+01
 Leave Link  716 at Sun Jul 25 00:30:47 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.438348D+03 -0.184831D+02  0.448074D+02
      2  -0.184831D+02  0.402464D+03  0.442095D+02
      3   0.448074D+02  0.442095D+02  0.238651D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.190266D+03 -0.279193D+02  0.139020D+03
      2  -0.112659D+03 -0.686022D+02 -0.495654D+02
      3   0.130827D+03  0.597463D+03 -0.213384D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.650246D+03  0.407995D+02 -0.306785D+03
      2   0.224362D+03  0.131608D+02 -0.173207D+02
      3   0.425884D+03 -0.539603D+02  0.324105D+03
      4   0.109563D+03 -0.354822D+03 -0.318708D+03
      5  -0.126383D+03 -0.188342D+03  0.604001D+02
      6  -0.297413D+03  0.988748D+02 -0.170866D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.128018D+01  0.153844D+01 -0.104874D+00  0.730264D+00 -0.102966D+01
      2   0.153844D+01 -0.212285D+01  0.465349D+00 -0.102966D+01  0.205277D+01
      3  -0.104874D+00  0.465349D+00 -0.976911D+00 -0.462980D+00  0.206616D+00
                 6             7             8             9            10 
      1  -0.462980D+00 -0.234691D+00 -0.750879D-01 -0.589168D+00 -0.411446D+01
      2   0.206616D+00 -0.750879D-01 -0.409050D-01  0.806302D+00  0.261075D-02
      3   0.111760D+01 -0.589168D+00  0.806302D+00  0.253917D+00 -0.239352D+01
                11            12            13            14            15 
      1   0.261075D-02 -0.239352D+01 -0.207255D+01 -0.552887D+00 -0.141213D+01
      2  -0.702329D+00 -0.162087D+01 -0.552887D+00  0.257824D+01 -0.215922D+01
      3  -0.162087D+01 -0.709831D+01 -0.141213D+01 -0.215922D+01 -0.154242D+01
                16            17            18            19            20 
      1  -0.315896D+01 -0.312906D+00 -0.533180D+01  0.522073D+01 -0.651689D+00
      2  -0.312906D+00 -0.390143D+01  0.563286D+00 -0.651689D+00  0.323399D+01
      3  -0.533180D+01  0.563286D+00 -0.657625D+01  0.294659D+01  0.438202D-01
                21            22            23            24            25 
      1   0.294659D+01  0.227059D+01  0.184954D+01  0.166790D+01  0.327421D+01
      2   0.438202D-01  0.184954D+01  0.809794D+00  0.203930D+00 -0.117309D+01
      3   0.428915D+00  0.166790D+01  0.203930D+00 -0.165529D+00  0.358945D+01
                26            27            28            29            30 
      1  -0.117309D+01  0.358945D+01  0.816257D+00  0.338136D+00  0.146744D+01
      2   0.472105D+00 -0.146311D+01  0.338136D+00  0.357649D-01  0.884118D-01
      3  -0.146311D+01  0.965992D+01  0.146744D+01  0.884118D-01  0.174259D+01
                31            32            33            34            35 
      1   0.295691D+00  0.857228D+00  0.114128D+01  0.135122D+01  0.111156D+01
      2   0.857228D+00  0.228742D+01  0.309663D+01  0.111156D+01  0.209343D+01
      3   0.114128D+01  0.309663D+01  0.549885D+01  0.189109D+01  0.308701D+01
                36            37            38            39            40 
      1   0.189109D+01  0.400855D+01  0.132486D+01  0.110370D+01  0.716491D+01
      2   0.308701D+01  0.132486D+01  0.187694D+01  0.115936D+01 -0.112581D+01
      3   0.645410D+01  0.110370D+01  0.115936D+01  0.196219D+01  0.205353D+01
                41            42            43            44            45 
      1  -0.112581D+01  0.205353D+01  0.365949D+01 -0.320985D+01  0.461717D+01
      2   0.205533D+01 -0.310922D+00 -0.320985D+01  0.323037D+01 -0.245173D+01
      3  -0.310922D+00 -0.833275D+00  0.461717D+01 -0.245173D+01  0.849780D+01
                46            47            48            49            50 
      1   0.793263D+01 -0.134023D+01  0.595322D+01 -0.773805D+00  0.964504D+00
      2  -0.134023D+01  0.690928D+00 -0.125523D+01  0.964504D+00 -0.325302D+00
      3   0.595322D+01 -0.125523D+01  0.558989D+01  0.640474D-01  0.813023D+00
                51            52            53            54            55 
      1   0.640474D-01  0.547333D+01 -0.315871D+00  0.486532D+01 -0.863103D+00
      2   0.813023D+00 -0.315871D+00  0.438279D+00 -0.420231D+00  0.126187D+01
      3   0.830532D+00  0.486532D+01 -0.420231D+00  0.510077D+01 -0.334834D+01
                56            57            58            59            60 
      1   0.126187D+01 -0.334834D+01 -0.440375D+01  0.589767D+00 -0.475013D+01
      2  -0.109507D+01  0.157667D+01  0.589767D+00 -0.347323D+01  0.305154D+01
      3   0.157667D+01 -0.158695D+01 -0.475013D+01  0.305154D+01 -0.573287D+01
                61            62            63            64            65 
      1  -0.934083D+01  0.117219D+01 -0.503072D+01  0.526619D+01 -0.435684D+01
      2   0.117219D+01  0.900847D+00  0.392071D-01 -0.435684D+01  0.426638D+01
      3  -0.503072D+01  0.392071D-01 -0.528986D+01  0.105561D+01 -0.111593D+01
                66            67            68            69            70 
      1   0.105561D+01 -0.459154D+01  0.448504D+01 -0.445555D+00  0.431272D+00
      2  -0.111593D+01  0.448504D+01 -0.551832D+01  0.699655D+00  0.251073D-01
      3   0.709283D+00 -0.445555D+00  0.699655D+00 -0.602268D+00  0.568094D+00
                71            72            73            74            75 
      1   0.251073D-01  0.568094D+00  0.122395D+02 -0.289851D+01  0.106674D+02
      2  -0.629065D+00 -0.681463D+00 -0.289851D+01  0.132124D+01 -0.100793D+01
      3  -0.681463D+00  0.122640D+00  0.106674D+02 -0.100793D+01  0.100924D+02
                76            77            78            79            80 
      1  -0.165613D+02  0.293797D+01 -0.174887D+02 -0.196094D+01 -0.540468D-01
      2   0.293797D+01 -0.739804D+01 -0.852536D+00 -0.540468D-01 -0.880584D+00
      3  -0.174887D+02 -0.852536D+00 -0.199914D+02 -0.204612D+01 -0.269225D+01
                81            82            83            84            85 
      1  -0.204612D+01  0.168047D+02 -0.893429D+01  0.896461D+01  0.766506D+01
      2  -0.269225D+01 -0.893429D+01  0.147172D+02 -0.758318D+00 -0.184044D+01
      3  -0.501644D+01  0.896461D+01 -0.758318D+00  0.109467D+02  0.572283D+01
                86            87            88            89            90 
      1  -0.184044D+01  0.572283D+01  0.103482D+02 -0.560899D+01  0.123530D+02
      2  -0.131929D+00  0.240773D+01 -0.560899D+01  0.139972D+02 -0.366867D+01
      3   0.240773D+01  0.627182D+01  0.123530D+02 -0.366867D+01  0.131009D+02
                91            92            93            94            95 
      1  -0.216978D+02  0.444140D+01 -0.177688D+02  0.992685D+01  0.149759D+00
      2   0.444140D+01 -0.552182D+01  0.104423D+01  0.149759D+00  0.437051D+01
      3  -0.177688D+02  0.104423D+01 -0.174770D+02  0.121005D+02  0.139023D+01
                96            97            98            99           100 
      1   0.121005D+02 -0.422328D+01  0.302753D+01 -0.342729D+01  0.109881D+02
      2   0.139023D+01  0.302753D+01 -0.134107D+01  0.289631D+01  0.206778D+01
      3   0.140647D+02 -0.342729D+01  0.289631D+01 -0.241596D+01  0.932116D+01
               101           102           103           104           105 
      1   0.206778D+01  0.932116D+01  0.254795D+02 -0.208872D+02  0.144391D+02
      2  -0.421635D+01 -0.991427D-01 -0.208872D+02  0.376630D+02 -0.813405D+01
      3  -0.991427D-01  0.832261D+01  0.144391D+02 -0.813405D+01  0.934365D+01
               106           107           108           109           110 
      1   0.184942D+02 -0.952328D+01  0.130390D+02 -0.755101D+01 -0.493985D+01
      2  -0.952328D+01  0.149844D+02 -0.338478D+01 -0.493985D+01  0.684196D+01
      3   0.130390D+02 -0.338478D+01  0.113310D+02 -0.793222D+01  0.708121D+00
               111           112           113           114           115 
      1  -0.793222D+01 -0.282907D+02  0.245671D+02 -0.169670D+02 -0.151551D+02
      2   0.708121D+00  0.245671D+02 -0.430880D+02  0.104363D+02  0.861977D+01
      3  -0.509600D+01 -0.169670D+02  0.104363D+02 -0.109415D+02 -0.112344D+02
               116           117           118           119           120 
      1   0.861977D+01 -0.112344D+02 -0.212398D+02  0.173778D+02 -0.111546D+02
      2  -0.121979D+02  0.251171D+01  0.173778D+02 -0.283341D+02  0.727879D+01
      3   0.251171D+01 -0.987606D+01 -0.111546D+02  0.727879D+01 -0.817860D+01
               121           122           123           124           125 
      1   0.622603D+01 -0.117463D+02  0.386288D+01 -0.896995D+01  0.840732D+01
      2  -0.117463D+02  0.137112D+02 -0.388845D+01  0.840732D+01 -0.973218D+01
      3   0.386288D+01 -0.388845D+01  0.318075D+01 -0.632280D+01  0.173698D+01
               126           127           128           129           130 
      1  -0.632280D+01  0.193651D+02 -0.966430D+01  0.632595D+01  0.384908D+00
      2   0.173698D+01 -0.966430D+01  0.625677D+02 -0.460277D+01  0.142226D+02
      3  -0.106847D+02  0.632595D+01 -0.460277D+01  0.224924D+01 -0.746368D+00
               131           132           133           134           135 
      1   0.142226D+02 -0.746368D+00  0.589195D+01  0.941421D+00  0.160120D+01
      2   0.172162D+02  0.424603D+01  0.941421D+00  0.229640D+02 -0.180197D+00
      3   0.424603D+01 -0.128104D+00  0.160120D+01 -0.180197D+00  0.572288D+00
               136           137           138           139           140 
      1  -0.197725D+02  0.691936D+01 -0.556114D+01 -0.553100D+00 -0.816426D+01
      2   0.691936D+01 -0.621534D+02  0.538778D+01 -0.816426D+01 -0.139485D+02
      3  -0.556114D+01  0.538778D+01 -0.135710D+01 -0.984553D+00 -0.196563D+01
               141           142           143           144           145 
      1  -0.984553D+00 -0.458498D+01  0.158954D+01 -0.450629D+01 -0.981416D+01
      2  -0.196563D+01  0.158954D+01 -0.217162D+02  0.113811D+01  0.589123D+00
      3  -0.707216D+00 -0.450629D+01  0.113811D+01 -0.231594D+01 -0.407915D+01
               146           147           148           149           150 
      1   0.589123D+00 -0.407915D+01  0.100602D+02  0.535499D-01  0.868344D+01
      2  -0.106491D+02  0.127454D-01  0.535499D-01  0.337358D+02 -0.160344D+01
      3   0.127454D-01 -0.426582D+01  0.868344D+01 -0.160344D+01  0.664844D+01
               151           152           153           154           155 
      1   0.268830D+01  0.209544D+01 -0.273617D+01  0.162501D+02 -0.399238D+01
      2   0.209544D+01  0.508316D+01  0.351018D+00 -0.399238D+01  0.131928D+02
      3  -0.273617D+01  0.351018D+00 -0.401038D+01  0.121848D+02 -0.190822D+01
               156           157           158           159           160 
      1   0.121848D+02 -0.116517D+02 -0.504455D+00 -0.532211D+01  0.428025D+01
      2  -0.190822D+01 -0.504455D+00 -0.187485D+02  0.266111D+01 -0.595592D-01
      3   0.940662D+01 -0.532211D+01  0.266111D+01 -0.384521D+01  0.314919D+01
               161           162           163           164           165 
      1  -0.595592D-01  0.314919D+01  0.350547D+02  0.179677D+02 -0.162490D+01
      2   0.254173D+01 -0.471483D+01  0.179677D+02  0.280532D+02  0.582397D-01
      3  -0.471483D+01 -0.468416D+00 -0.162490D+01  0.582397D-01  0.879937D+00
               166           167           168           169           170 
      1  -0.156730D+02 -0.144608D+02 -0.536285D+00 -0.422121D+01 -0.452693D+01
      2  -0.144608D+02 -0.468921D+02 -0.245157D+01 -0.452693D+01 -0.132167D+02
      3  -0.536285D+00 -0.245157D+01 -0.308866D+00  0.685298D+00 -0.122589D+01
               171           172           173           174           175 
      1   0.685298D+00 -0.314208D+02 -0.162248D+02  0.141783D+01  0.208060D+02
      2  -0.122589D+01 -0.162248D+02 -0.254912D+02  0.761212D+00  0.199218D+02
      3  -0.304102D+00  0.141783D+01  0.761212D+00  0.510541D+00 -0.264171D+00
               176           177           178           179           180 
      1   0.199218D+02 -0.264171D+00  0.390223D+01  0.442249D+01 -0.196098D+01
      2   0.558953D+02  0.194380D+01  0.442249D+01  0.119168D+02  0.236352D+01
      3   0.194380D+01  0.312868D+00 -0.196098D+01  0.236352D+01  0.113977D+01
               181           182           183           184           185 
      1   0.146969D+02  0.810587D+01 -0.616622D-02  0.207039D+02  0.316049D+01
      2   0.810587D+01  0.982236D+01 -0.145170D+01  0.316049D+01  0.240321D+02
      3  -0.616622D-02 -0.145170D+01 -0.113557D+01  0.263097D+01 -0.333099D+01
               186           187           188           189           190 
      1   0.263097D+01  0.903706D+01  0.140012D+01 -0.267892D+01 -0.314909D+01
      2  -0.333099D+01  0.140012D+01  0.531717D+01  0.307171D+01 -0.396385D+01
      3   0.170497D+01 -0.267892D+01  0.307171D+01  0.622104D+00  0.169936D+01
               191           192           193           194           195 
      1  -0.396385D+01  0.169936D+01 -0.211218D+02  0.269418D+01  0.216131D+00
      2   0.394794D+01 -0.128792D+01  0.269418D+01 -0.353531D+02  0.399933D+01
      3  -0.128792D+01 -0.108052D+01  0.216131D+00  0.399933D+01 -0.553843D+00
               196           197           198           199           200 
      1  -0.384742D+01  0.151801D+01 -0.433363D+01 -0.166305D+02 -0.122184D+02
      2   0.151801D+01 -0.604904D+01 -0.826857D+00 -0.122184D+02 -0.870566D+01
      3  -0.433363D+01 -0.826857D+00 -0.210209D+01 -0.121849D+00  0.826266D+00
               201           202           203           204           205 
      1  -0.121849D+00 -0.401209D+02 -0.689485D+01  0.874278D+01 -0.172348D+02
      2   0.826266D+00 -0.689485D+01 -0.102265D+02 -0.424224D+00 -0.183470D+01
      3  -0.343243D-01  0.874278D+01 -0.424224D+00 -0.206323D+01  0.294924D+01
               206           207           208           209           210 
      1  -0.183470D+01  0.294924D+01 -0.263417D+02 -0.140689D+02  0.364720D+01
      2  -0.313147D+01 -0.115969D+01 -0.140689D+02 -0.317552D+02 -0.181297D+01
      3  -0.115969D+01 -0.161016D+01  0.364720D+01 -0.181297D+01 -0.359175D+01
               211           212           213           214           215 
      1  -0.131301D+02 -0.154076D+02  0.230741D+01 -0.185850D+01 -0.226309D+01
      2  -0.154076D+02 -0.334870D+02 -0.203526D+01 -0.226309D+01 -0.869529D+01
      3   0.230741D+01 -0.203526D+01 -0.753339D+00 -0.444024D+01  0.826113D+00
               216           217           218           219           220 
      1  -0.444024D+01  0.408968D+02  0.125163D+02 -0.785649D+01 -0.643669D+01
      2   0.826113D+00  0.125163D+02  0.263020D+02  0.136762D+01  0.355591D+00
      3   0.207323D+01 -0.785649D+01  0.136762D+01  0.376953D+01  0.182603D+01
               221           222           223           224           225 
      1   0.355591D+00  0.182603D+01 -0.459838D+01 -0.406525D+00  0.330861D+01
      2   0.720703D+01 -0.159975D+01 -0.406525D+00 -0.125861D+01  0.479297D+01
      3  -0.159975D+01  0.211747D+00  0.330861D+01  0.479297D+01  0.181570D+01
               226           227           228           229           230 
      1  -0.890327D+01  0.359309D+01  0.445950D+01  0.449118D+02  0.947855D+01
      2   0.359309D+01  0.787418D+00 -0.359062D+00  0.947855D+01  0.127364D+02
      3   0.445950D+01 -0.359062D+00 -0.154527D+01 -0.977781D+01  0.502802D+00
               231           232           233           234           235 
      1  -0.977781D+01  0.161543D+02  0.284962D+01 -0.424118D+01 -0.520964D+01
      2   0.502802D+00  0.284962D+01  0.272356D+01  0.164615D+01 -0.551880D+01
      3   0.211166D+01 -0.424118D+01  0.164615D+01  0.246042D+01 -0.773461D+00
               236           237           238           239           240 
      1  -0.551880D+01 -0.773461D+00  0.345848D+01  0.213975D+01 -0.309329D+00
      2  -0.524489D+01  0.370867D+00  0.213975D+01  0.289376D+01 -0.204838D+01
      3   0.370867D+00  0.304641D+00 -0.309329D+00 -0.204838D+01  0.606855D+00
               241           242           243           244           245 
      1   0.408150D+01  0.210706D+01  0.136137D+01  0.116331D+02  0.272178D+01
      2   0.210706D+01 -0.668089D+00  0.245901D+01  0.272178D+01  0.654564D+01
      3   0.136137D+01  0.245901D+01  0.208782D+01 -0.160100D+01  0.727913D+00
               246           247           248           249           250 
      1  -0.160100D+01  0.481601D+01 -0.366715D+01 -0.521392D+01  0.717099D+00
      2   0.727913D+00 -0.366715D+01 -0.253846D+01 -0.723796D+00 -0.371377D+01
      3   0.277271D+01 -0.521392D+01 -0.723796D+00  0.127164D+01  0.232969D+01
               251           252           253           254           255 
      1  -0.371377D+01  0.232969D+01  0.190174D+02  0.259547D+01 -0.457630D+01
      2  -0.405218D+01  0.161779D+01  0.259547D+01  0.364198D+01  0.558902D+00
      3   0.161779D+01 -0.889822D+00 -0.457630D+01  0.558902D+00  0.828526D+00
               256           257           258           259           260 
      1  -0.423458D+01  0.175872D+01  0.127377D+01 -0.500845D+01 -0.978114D+00
      2   0.175872D+01  0.224339D+01  0.387002D+00 -0.978114D+00  0.142777D+01
      3   0.127377D+01  0.387002D+00  0.864389D+00  0.379270D+01  0.325399D+00
               261           262           263           264           265 
      1   0.379270D+01 -0.234556D+02  0.108601D+01  0.761519D+01 -0.125964D+01
      2   0.325399D+00  0.108601D+01 -0.296788D+01 -0.183954D+01 -0.670128D+00
      3  -0.165360D+01  0.761519D+01 -0.183954D+01 -0.323867D+01  0.147048D+01
               266           267           268           269           270 
      1  -0.670128D+00  0.147048D+01  0.266926D+01  0.101161D+01 -0.163597D+01
      2  -0.350268D+01  0.940603D+00  0.101161D+01  0.290724D+01 -0.208760D+01
      3   0.940603D+00 -0.127555D+01 -0.163597D+01 -0.208760D+01 -0.830805D+00
               271           272           273           274           275 
      1   0.344546D+01 -0.428470D+01  0.349096D-01 -0.290752D+01  0.446267D+01
      2  -0.428470D+01  0.626581D+01 -0.514449D-01  0.446267D+01 -0.878263D+01
      3   0.349096D-01 -0.514449D-01  0.836627D+00  0.852690D+00 -0.103599D+01
               276           277           278           279           280 
      1   0.852690D+00  0.829538D+00  0.164453D+00  0.802700D+00 -0.951373D+00
      2  -0.103599D+01  0.164453D+00 -0.140474D+01 -0.651182D+00 -0.651940D+00
      3  -0.345909D+00  0.802700D+00 -0.651182D+00 -0.746360D-01 -0.114495D+01
               281           282           283           284           285 
      1  -0.651940D+00 -0.114495D+01 -0.205827D+00 -0.122681D+01 -0.334971D+00
      2  -0.187824D+01 -0.667944D+00 -0.122681D+01 -0.101159D+02 -0.472282D+01
      3  -0.667944D+00 -0.136084D+01 -0.334971D+00 -0.472282D+01 -0.315409D+01
               286           287           288           289           290 
      1  -0.938762D+00 -0.122292D+01 -0.593282D+00 -0.119897D+02 -0.314862D+01
      2  -0.122292D+01 -0.512095D+01 -0.354699D+01 -0.314862D+01 -0.134531D+01
      3  -0.593282D+00 -0.354699D+01 -0.222159D+01 -0.483801D+01 -0.110240D+01
               291           292           293           294           295 
      1  -0.483801D+01 -0.166031D+01 -0.214523D+01 -0.110128D+01 -0.452421D+01
      2  -0.110240D+01 -0.214523D+01 -0.140234D+00 -0.852179D+00 -0.141759D+01
      3  -0.286972D+01 -0.110128D+01 -0.852179D+00 -0.912240D+00 -0.211911D+01
               296           297           298           299           300 
      1  -0.141759D+01 -0.211911D+01 -0.139335D+01 -0.240596D+01 -0.104025D+01
      2  -0.679307D+00 -0.107456D+01 -0.240596D+01 -0.162059D+01 -0.167174D+01
      3  -0.107456D+01 -0.128818D+01 -0.104025D+01 -0.167174D+01 -0.101471D+01
               301           302           303           304           305 
      1  -0.225158D+01 -0.356347D+01 -0.190670D+01 -0.112200D+01 -0.252980D+01
      2  -0.356347D+01 -0.972782D+01 -0.467684D+01 -0.252980D+01 -0.468763D+01
      3  -0.190670D+01 -0.467684D+01 -0.307269D+01 -0.137713D+01 -0.262580D+01
               306           307           308           309           310 
      1  -0.137713D+01 -0.888877D+01  0.578629D+01  0.385883D+00  0.628844D+01
      2  -0.262580D+01  0.578629D+01 -0.323399D+01 -0.319301D-01 -0.500036D+01
      3  -0.230106D+01  0.385883D+00 -0.319301D-01 -0.658809D+00 -0.579070D+00
               311           312           313           314           315 
      1  -0.500036D+01 -0.579070D+00  0.797704D+00 -0.728633D+00 -0.614569D+00
      2   0.563968D+01  0.611200D+00 -0.728633D+00  0.134290D+01  0.357289D-01
      3   0.611200D+00  0.593389D+00 -0.614569D+00  0.357289D-01  0.188733D+00
               316           317           318           319           320 
      1  -0.152758D+02 -0.766748D+00 -0.314828D+01 -0.209184D+01 -0.150136D+01
      2  -0.766748D+00 -0.224129D+00 -0.142745D+00 -0.150136D+01 -0.128562D+01
      3  -0.314828D+01 -0.142745D+00 -0.151434D+01 -0.852796D+00 -0.515890D+00
               321           322           323           324           325 
      1  -0.852796D+00 -0.420480D+01 -0.596679D+00 -0.121845D+01 -0.660205D+01
      2  -0.515890D+00 -0.596679D+00 -0.195915D+00  0.277806D+00  0.468255D+01
      3  -0.375047D+00 -0.121845D+01  0.277806D+00 -0.655830D+00  0.150901D+01
               326           327           328           329           330 
      1   0.468255D+01  0.150901D+01  0.341341D+01 -0.532614D+01 -0.148978D+01
      2  -0.544908D+01 -0.130779D+01 -0.532614D+01  0.641184D+01  0.160084D+01
      3  -0.130779D+01 -0.995071D+00 -0.148978D+01  0.160084D+01  0.110285D+01
               331           332           333           334           335 
      1   0.100447D+01 -0.190867D+01 -0.262205D+00  0.118759D+01  0.183945D+01
      2  -0.190867D+01  0.983155D+00  0.109851D+01  0.183945D+01  0.249669D+01
      3  -0.262205D+00  0.109851D+01  0.386248D+00  0.257322D+00  0.532902D+00
               336           337           338           339           340 
      1   0.257322D+00  0.491369D+00  0.342756D+00  0.206805D+00 -0.267148D+00
      2   0.532902D+00  0.342756D+00  0.135776D+02  0.375643D+01  0.356377D-01
      3   0.317909D+00  0.206805D+00  0.375643D+01  0.184369D+01 -0.222142D+00
               341           342           343           344           345 
      1   0.356377D-01 -0.222142D+00  0.135230D+01  0.205031D+01  0.486478D+00
      2   0.460868D+01  0.138615D+01  0.205031D+01  0.278752D+01  0.595994D+00
      3   0.138615D+01  0.983728D+00  0.486478D+00  0.595994D+00  0.402145D+00
               346           347           348           349           350 
      1   0.156255D+01  0.341646D+01  0.102586D+01  0.655739D+00  0.913910D+00
      2   0.341646D+01  0.112046D+02  0.292382D+01  0.913910D+00  0.363977D+01
      3   0.102586D+01  0.292382D+01  0.157470D+01  0.320919D+00  0.144888D+01
               351           352           353           354           355 
      1   0.320919D+00  0.101629D+02  0.465668D+01 -0.337129D+00  0.329315D+01
      2   0.144888D+01  0.465668D+01  0.297769D+01 -0.139685D+00  0.265959D+01
      3   0.858341D+00 -0.337129D+00 -0.139685D+00  0.809650D+00  0.387333D+00
               356           357           358           359           360 
      1   0.265959D+01  0.387333D+00  0.150098D+00  0.444929D+00  0.259694D+00
      2   0.239910D+01  0.189753D+00  0.444929D+00  0.538918D+00  0.246519D+00
      3   0.189753D+00  0.242530D+00  0.259694D+00  0.246519D+00  0.200528D+00
               361           362           363           364           365 
      1   0.117686D+02 -0.215999D+01 -0.245646D+01  0.111527D+01  0.574347D+01
      2  -0.215999D+01  0.231017D+01  0.145303D+00  0.574347D+01 -0.282080D+01
      3  -0.245646D+01  0.145303D+00  0.262329D+01 -0.393854D+00 -0.285443D+01
               366           367           368           369           370 
      1  -0.393854D+00 -0.580601D+00  0.668290D+00  0.557529D+01 -0.156295D+01
      2  -0.285443D+01  0.668290D+00 -0.159533D+01 -0.117170D+01 -0.127212D+01
      3  -0.806219D+00  0.557529D+01 -0.117170D+01 -0.674892D+01  0.364688D+00
               371           372           373           374           375 
      1  -0.127212D+01  0.364688D+00 -0.107214D+01 -0.109625D+01  0.663594D+00
      2  -0.197221D+01  0.524803D+00 -0.109625D+01 -0.321620D+01  0.118017D+00
      3   0.524803D+00 -0.429621D+00  0.663594D+00  0.118017D+00 -0.128682D+01
               376           377           378 
      1   0.143588D+00 -0.659166D-01 -0.136478D+00
      2  -0.659166D-01 -0.916931D+00 -0.698652D+00
      3  -0.136478D+00 -0.698652D+00 -0.575180D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.690977D+01 -0.116782D+02  0.231878D+01 -0.613391D+01  0.128543D+02
      2   0.629153D+01 -0.847217D+01  0.311122D+01 -0.440714D+01  0.747310D+01
      3  -0.268687D+01  0.443799D+00  0.788062D+00  0.549324D+01 -0.530639D+01
                 6             7             8             9            10 
      1  -0.172392D+01  0.496086D-01  0.290781D+01  0.344448D+01 -0.153501D+02
      2  -0.403815D+00  0.640262D+00  0.382004D-01  0.246574D+01  0.916751D+01
      3   0.129046D+01 -0.187110D+01 -0.228822D+01 -0.245426D+01  0.232879D+02
                11            12            13            14            15 
      1   0.454893D+01 -0.302759D+02 -0.116525D+02  0.147088D+02 -0.168374D+02
      2   0.617644D+01 -0.269413D+01  0.335876D+01  0.714261D+01  0.244618D+01
      3  -0.120245D+02  0.314270D+02  0.189677D+02 -0.182759D+02  0.147547D+02
                16            17            18            19            20 
      1  -0.161430D+02 -0.529963D+01 -0.671072D+01  0.137300D+02  0.711019D+01
      2  -0.978787D+01  0.808802D+01  0.194873D+01 -0.133875D+01 -0.230112D+01
      3   0.235908D+02 -0.435845D+01  0.209316D+02 -0.232557D+02 -0.480455D-01
                21            22            23            24            25 
      1   0.161678D+02  0.121988D+02  0.104127D+02 -0.381464D+01  0.658822D+01
      2   0.460540D+01 -0.230320D+01 -0.782244D+01 -0.387206D+01 -0.627725D+01
      3  -0.258603D+02 -0.889228D+01 -0.234242D+02  0.198118D+00 -0.198366D+02
                26            27            28            29            30 
      1  -0.151684D+01  0.214236D+02  0.266835D+01 -0.181001D+01  0.194982D+01
      2   0.613806D+01  0.461519D+01  0.171718D+00 -0.155652D+01 -0.817798D+00
      3   0.127238D+02 -0.297299D+02 -0.319380D+01  0.143771D+01 -0.385302D+01
                31            32            33            34            35 
      1   0.380189D+01  0.135074D+02  0.166128D+02  0.704473D+01  0.158773D+02
      2  -0.320780D+00  0.239884D+01  0.648812D+01 -0.357792D+01  0.121056D+01
      3  -0.135995D+01 -0.797314D+01 -0.130827D+02 -0.300630D+01 -0.946737D+01
                36            37            38            39            40 
      1   0.172048D+02  0.139254D+02  0.532856D+01  0.368209D+01  0.836723D+01
      2   0.283537D+01 -0.660072D+01 -0.255878D+01  0.670650D+00 -0.132997D+02
      3  -0.100325D+02 -0.235355D+02 -0.145829D+02 -0.831139D+01 -0.298300D+02
                41            42            43            44            45 
      1  -0.713845D+01  0.657850D+01  0.755045D+01 -0.480879D-01  0.274160D+02
      2  -0.535947D+00 -0.270017D+00  0.109082D+01 -0.577338D+00  0.906871D+01
      3   0.779316D+01 -0.122064D+02 -0.194930D+02  0.243430D+02 -0.237385D+02
                46            47            48            49            50 
      1   0.867913D+01  0.831682D+00  0.793048D+01  0.262303D+01  0.857989D+00
      2  -0.100070D+02  0.459398D+00 -0.131419D+01  0.378005D+01 -0.127639D+01
      3  -0.161014D+02 -0.259888D+00 -0.115179D+02  0.159385D+00 -0.142574D+01
                51            52            53            54            55 
      1   0.435528D+01  0.106311D+02  0.236255D+01  0.100225D+02 -0.221348D+02
      2   0.309729D+01 -0.756919D+01  0.302286D+00 -0.234540D+01 -0.106272D+02
      3  -0.272795D+01 -0.155611D+02 -0.261295D+01 -0.133608D+02  0.146454D+02
                56            57            58            59            60 
      1   0.150862D+02 -0.157333D+02 -0.203939D+02  0.235448D+01 -0.212623D+02
      2   0.128720D+02  0.379719D+01  0.207574D+01  0.100210D+02 -0.198186D+01
      3  -0.249468D+02  0.189036D+02  0.274218D+02 -0.548383D+01  0.190647D+02
                61            62            63            64            65 
      1  -0.260463D+02  0.236170D+02 -0.269500D+02 -0.554247D+01  0.493463D+01
      2  -0.361076D+01  0.551720D+01 -0.166088D+02 -0.809127D+01  0.583810D+01
      3   0.551642D+02 -0.366112D+02  0.376480D+02 -0.874508D+01  0.244285D+01
                66            67            68            69            70 
      1   0.395366D+00  0.724990D+01 -0.868624D+01 -0.347488D+01  0.837433D+00
      2   0.316893D+00  0.907701D+01 -0.870717D+01 -0.234256D+01 -0.126931D+01
      3  -0.179470D+00  0.839729D+01 -0.239543D+01  0.759340D+00 -0.110134D+01
                71            72            73            74            75 
      1  -0.313162D+01 -0.146751D+01  0.487546D+02 -0.224043D+02  0.486228D+02
      2  -0.931672D+00 -0.149425D+01  0.169576D+02 -0.625913D+01  0.149826D+02
      3   0.344582D+01  0.454755D+00 -0.831897D+02  0.440669D+02 -0.743306D+02
                76            77            78            79            80 
      1  -0.752278D+02 -0.316231D+02 -0.923740D+02 -0.277859D+01 -0.229613D+02
      2  -0.637755D+00 -0.212570D+02 -0.807967D+01 -0.374440D+01 -0.129860D+02
      3   0.124503D+03  0.409247D+01  0.141749D+03  0.168518D+02  0.312532D+02
                81            82            83            84            85 
      1  -0.154904D+02  0.410945D+02 -0.175809D+01  0.453796D+02  0.178602D+02
      2  -0.994977D+01  0.174978D+02  0.197503D+01  0.125066D+02  0.556939D+01
      3   0.300466D+02 -0.136809D+03  0.776169D+02 -0.768202D+02 -0.548460D+02
                86            87            88            89            90 
      1   0.245169D+02  0.227818D+02  0.600507D+02 -0.165487D+01  0.685581D+02
      2   0.152972D+02  0.686666D+01 -0.295127D+01  0.819755D+01  0.309935D+01
      3  -0.914470D+01 -0.524509D+02 -0.867309D+02  0.448980D+02 -0.109195D+03
                91            92            93            94            95 
      1  -0.469277D+02 -0.129576D+02 -0.528071D+02  0.355885D+02  0.446089D+01
      2   0.249184D+02 -0.165106D+02  0.164685D+02 -0.754127D+00  0.124583D+01
      3   0.910112D+02 -0.272382D+02  0.813949D+02 -0.587831D+02  0.205233D+01
                96            97            98            99           100 
      1   0.423319D+02  0.237920D+01 -0.905558D+01  0.245710D+01  0.155007D+02
      2  -0.461166D+01  0.431841D+01 -0.108364D+02 -0.206776D+01 -0.641606D+01
      3  -0.664064D+02  0.144456D+01  0.186665D+02  0.561173D+01 -0.327882D+02
               101           102           103           104           105 
      1   0.740687D+01  0.187048D+02  0.592604D+02 -0.355756D+02  0.310046D+02
      2   0.121398D+02 -0.153780D+01  0.822734D+01 -0.800154D+00  0.169438D+01
      3  -0.405238D+02 -0.390273D+02 -0.158994D+03  0.188976D+03 -0.725077D+02
               106           107           108           109           110 
      1   0.346323D+02 -0.447080D+00  0.271438D+02 -0.261697D+02 -0.154290D+02
      2  -0.170475D+02  0.208082D+01 -0.173034D+02  0.248956D+01 -0.162075D+02
      3  -0.823405D+02  0.108653D+03 -0.541236D+02  0.577061D+02  0.473643D+02
               111           112           113           114           115 
      1  -0.231685D+02 -0.895840D+02  0.607591D+02 -0.508577D+02 -0.476425D+02
      2  -0.600698D+01 -0.161958D+02  0.208472D+02 -0.447099D+01 -0.231530D+02
      3   0.519954D+02  0.227584D+03 -0.292887D+03  0.121073D+03  0.112049D+03
               116           117           118           119           120 
      1   0.289879D+02 -0.343152D+02 -0.583905D+02  0.390233D+02 -0.389799D+02
      2   0.109570D+02 -0.744786D+01 -0.106894D+02  0.908506D+01 -0.300139D+01
      3  -0.936108D+02  0.659927D+02  0.178692D+03 -0.184758D+03  0.971271D+02
               121           122           123           124           125 
      1   0.258398D+02 -0.290814D+02  0.143933D+02 -0.345325D+02  0.164607D+02
      2   0.110826D+02 -0.147267D+02  0.421452D+01 -0.170076D+02  0.111282D+02
      3  -0.557263D+02  0.116298D+03 -0.301296D+02  0.652803D+02 -0.749183D+02
               126           127           128           129           130 
      1  -0.477522D+02  0.399765D+02 -0.666960D+02  0.136118D+02 -0.569539D+01
      2  -0.952664D+01  0.903757D+01 -0.324762D+02  0.330428D+01 -0.981143D+01
      3   0.495203D+02 -0.587749D+02  0.327840D+03 -0.220514D+02  0.755405D+02
               131           132           133           134           135 
      1  -0.154005D+02 -0.634644D+00  0.527500D+01 -0.558846D+01 -0.486636D+01
      2  -0.163691D+02 -0.194144D+01 -0.186020D+02 -0.137768D+02 -0.680318D+01
      3   0.729462D+02  0.200774D+02  0.238868D+02  0.126253D+03  0.380867D+01
               136           137           138           139           140 
      1  -0.419564D+02  0.847640D+02 -0.154977D+02  0.545519D+01  0.168989D+02
      2  -0.911322D+01  0.618645D+02 -0.443468D+01  0.201695D+02  0.193100D+02
      3   0.628681D+02 -0.433206D+03  0.336725D+02 -0.571943D+02 -0.878465D+02
               141           142           143           144           145 
      1   0.726289D+00 -0.110263D+02  0.530453D+02 -0.160078D+01 -0.151668D+02
      2   0.636387D+01 -0.183183D+00  0.266402D+02  0.156641D+01 -0.946120D+01
      3  -0.148850D+02 -0.436139D+01 -0.146510D+03  0.375464D+01  0.469585D+02
               146           147           148           149           150 
      1   0.466707D+01 -0.139933D+02  0.310378D+02 -0.629929D+02  0.225704D+02
      2   0.100338D+02  0.514955D+01 -0.777563D+01 -0.437033D+02 -0.561757D+01
      3  -0.675393D+02  0.173380D+02 -0.228230D+02  0.234699D+03 -0.285308D+02
               151           152           153           154           155 
      1  -0.118113D+02  0.106694D+02 -0.969780D+01  0.523655D+02 -0.200540D+02
      2   0.102471D+02 -0.699858D+01  0.727917D+01  0.185993D+02 -0.191784D+02
      3  -0.437031D+00  0.407759D+02  0.136912D+02 -0.114733D+03  0.101637D+03
               156           157           158           159           160 
      1   0.365816D+02 -0.198178D+02  0.288220D+02 -0.183403D+02  0.101385D+02
      2   0.496667D+01 -0.196110D+01  0.784111D+01  0.164249D+01 -0.911653D+01
      3  -0.679253D+02  0.419549D+02 -0.116426D+03  0.318325D+02 -0.418075D+02
               161           162           163           164           165 
      1  -0.858991D+01  0.868221D+01 -0.106781D+02 -0.356184D+02  0.104036D+01
      2   0.250215D+02  0.894620D+01 -0.102913D+02 -0.109366D+02 -0.187727D+01
      3   0.160588D+02 -0.499494D+02  0.140612D+03  0.147441D+03 -0.230431D-01
               166           167           168           169           170 
      1  -0.169825D+01  0.337062D+02  0.146112D+01 -0.648880D+01  0.356481D+02
      2   0.175049D+02  0.238766D+02  0.237774D+01 -0.175814D+02  0.125411D+02
      3  -0.108286D+03 -0.217030D+03 -0.169999D+02 -0.915881D+01 -0.794441D+02
               171           172           173           174           175 
      1  -0.438944D+01  0.205800D+02  0.352694D+02  0.269630D+01 -0.163656D+01
      2   0.239516D+01  0.387729D+02  0.238323D+02  0.627480D+00 -0.113623D+02
      3  -0.158184D+01 -0.214524D+03 -0.192195D+03 -0.888306D+00  0.151741D+03
               176           177           178           179           180 
      1  -0.612896D+02  0.355163D+01  0.956223D+01 -0.205706D+00  0.112008D+01
      2  -0.488049D+02 -0.287193D+01 -0.101658D+02 -0.219548D+02 -0.646683D+01
      3   0.346212D+03  0.100248D+02  0.125521D+02  0.836156D+02  0.377247D+01
               181           182           183           184           185 
      1  -0.170686D+02 -0.202127D+02  0.182571D+00 -0.322895D+01 -0.356279D+02
      2  -0.242215D+02 -0.832265D+01  0.377509D+01 -0.174613D+02 -0.164393D+02
      3   0.121030D+03  0.900053D+02 -0.460033D+01  0.762980D+02  0.176148D+03
               186           187           188           189           190 
      1  -0.141603D+01  0.123794D+02 -0.234710D+01 -0.307616D+01  0.853243D+01
      2  -0.626336D+01 -0.348163D+01 -0.368508D+02 -0.924357D+01  0.335108D+01
      3  -0.124503D+02  0.277111D+02  0.467503D+02  0.170802D+02 -0.437105D+02
               191           192           193           194           195 
      1  -0.105359D+02  0.271479D+01 -0.204958D+02  0.435677D+02 -0.526937D+01
      2  -0.680596D+01  0.762903D+01 -0.106979D+02  0.367137D+02 -0.613048D+00
      3   0.341965D+02 -0.834543D+01 -0.563638D+01 -0.262790D+03  0.263025D+02
               196           197           198           199           200 
      1   0.714790D+00  0.311907D+02  0.592165D+01  0.498791D+01  0.147019D+02
      2   0.168789D+02  0.202955D+02  0.105078D+02 -0.663705D+01 -0.532616D+01
      3  -0.626293D+01 -0.379043D+02 -0.145059D+02 -0.495744D+02 -0.365253D+02
               201           202           203           204           205 
      1   0.155678D+00 -0.279478D-02  0.106052D+02  0.667113D-01 -0.170179D+01
      2  -0.844493D+00  0.136728D+02  0.280314D+00 -0.159830D+01 -0.694175D+01
      3  -0.258431D+01 -0.183895D+03 -0.456675D+02  0.402303D+02 -0.816008D+02
               206           207           208           209           210 
      1   0.197429D+02  0.397607D+01  0.532658D+01  0.335979D+02  0.924042D+01
      2  -0.103019D+01  0.281735D+01  0.224390D+02  0.281185D+02  0.445191D+01
      3  -0.415099D+02  0.148933D+02 -0.183744D+03 -0.196902D+03  0.120619D+02
               211           212           213           214           215 
      1  -0.582773D+01  0.327341D+02 -0.261307D+01  0.291513D+02  0.167321D+02
      2   0.116858D+02  0.376015D+02  0.827657D+00  0.471725D+00 -0.360346D+01
      3  -0.108135D+03 -0.225118D+03  0.294484D+01 -0.235994D+02 -0.476596D+02
               216           217           218           219           220 
      1  -0.467124D+01 -0.532233D+01 -0.329823D+02 -0.563350D+01  0.461792D+01
      2   0.210006D+00 -0.336227D+02 -0.132810D+02  0.242943D+01  0.899205D+01
      3  -0.213080D+02  0.271622D+03  0.135802D+03 -0.419027D+02 -0.324805D+02
               221           222           223           224           225 
      1   0.616175D+01 -0.561845D+01 -0.136200D+02 -0.170715D+02 -0.927432D+01
      2  -0.627338D+01 -0.311033D+01 -0.192654D+02 -0.133786D+02 -0.686661D+01
      3   0.466863D+02  0.891402D+01 -0.320734D+02  0.625082D+01  0.383017D+02
               226           227           228           229           230 
      1   0.119457D+01  0.115021D+01 -0.125685D+01  0.669348D+01 -0.235014D+02
      2  -0.394351D+01 -0.152909D+02 -0.349133D+01 -0.298330D+02 -0.158824D+01
      3  -0.382135D+02  0.723719D+02  0.189905D+02  0.294129D+03  0.707897D+02
               231           232           233           234           235 
      1   0.135443D+01 -0.118657D+00  0.302700D+00 -0.408233D+01 -0.348651D+01
      2   0.745437D+01 -0.289121D+02 -0.485614D+01  0.586716D+01  0.102172D+02
      3  -0.652982D+02  0.974052D+02  0.187095D+02 -0.228726D+02 -0.587391D+02
               236           237           238           239           240 
      1   0.184672D+01  0.176500D+01  0.110445D+01  0.253378D+01 -0.391858D+01
      2   0.147008D+02 -0.153920D+01  0.173154D+01 -0.322366D+01  0.115372D+01
      3  -0.729600D+02  0.644608D+01  0.260337D+02  0.349428D+01 -0.214789D+01
               241           242           243           244           245 
      1  -0.769901D+01 -0.809293D+01 -0.777084D+01 -0.147420D+00 -0.520306D+01
      2  -0.183288D+02  0.341028D+01  0.950922D+01 -0.416762D+01 -0.391913D+01
      3   0.266304D+02  0.251111D+02 -0.124102D+01  0.593437D+02  0.232201D+02
               246           247           248           249           250 
      1  -0.813687D+01  0.136437D+02  0.212618D+01 -0.135132D+01 -0.131135D+02
      2   0.730526D+01 -0.116703D+00 -0.214275D+01 -0.354701D+01  0.487310D+01
      3  -0.750504D+01  0.384973D+01 -0.191696D+02 -0.828085D+01 -0.267089D+01
               251           252           253           254           255 
      1   0.702028D+01  0.728432D+01  0.714485D+01  0.146939D+01 -0.435414D+01
      2   0.751712D+01 -0.337066D+01 -0.215213D+02 -0.168777D+01 -0.146855D+00
      3  -0.186259D+02  0.160830D+02  0.126189D+03  0.228896D+02 -0.413832D+02
               256           257           258           259           260 
      1   0.438974D+01 -0.115849D+02 -0.460854D+01 -0.960495D+01  0.775250D+01
      2  -0.290865D+01  0.465842D+01  0.744834D+01 -0.124593D+02 -0.412394D+01
      3   0.654819D+01  0.746268D+01 -0.146130D+02 -0.190860D+02 -0.193071D+02
               261           262           263           264           265 
      1   0.807443D+01 -0.100212D+02  0.216308D+01  0.516407D+01 -0.393914D+01
      2   0.817048D+01  0.854118D+01  0.776617D+01  0.696277D+00  0.460408D+01
      3   0.141156D+02 -0.122057D+03 -0.258344D+02  0.385502D+02 -0.166528D+01
               266           267           268           269           270 
      1  -0.208279D+01  0.187667D+00  0.183145D+01  0.573711D+01  0.396629D+01
      2  -0.101242D+01 -0.348654D+01 -0.124595D+02 -0.456438D+01 -0.268708D+01
      3   0.171307D+02  0.600459D+01 -0.111782D+01 -0.502656D+01  0.721443D+01
               271           272           273           274           275 
      1   0.218791D+01 -0.222424D+01  0.593874D+01  0.360136D+01 -0.378648D+01
      2   0.124667D+01 -0.111902D+01  0.272527D+01 -0.257550D+00  0.106917D+01
      3  -0.177395D+02  0.171295D+02 -0.220666D+01  0.153629D+02 -0.193650D+02
               276           277           278           279           280 
      1  -0.230775D+01  0.253982D+01  0.316494D+00 -0.352071D+00 -0.547483D+01
      2  -0.103380D+01  0.931369D+00  0.199260D+00  0.170173D+00 -0.130121D+01
      3  -0.572940D+01 -0.849831D+01  0.453249D+00 -0.499178D+01  0.656442D+01
               281           282           283           284           285 
      1  -0.121257D+01 -0.674093D+01 -0.921313D+00 -0.117367D+02 -0.125698D+02
      2   0.303037D+00 -0.401394D+00 -0.112095D+01  0.154431D+01  0.199562D+01
      3  -0.270860D+01  0.663390D+01  0.885310D+00 -0.276986D+01 -0.250533D+01
               286           287           288           289           290 
      1  -0.759792D+00 -0.899870D+01 -0.637942D+01 -0.831727D+01  0.633639D+00
      2  -0.193304D+01  0.458763D+00  0.121205D+01  0.140859D+01  0.911275D+00
      3   0.675680D+01  0.285712D+01 -0.173992D+00  0.131251D+02 -0.322842D+01
               291           292           293           294           295 
      1  -0.568175D+01  0.933189D-01 -0.190093D+01 -0.147053D+01 -0.137270D+01
      2   0.729953D+01  0.377885D+01 -0.107157D+01  0.258871D+01 -0.758619D+00
      3   0.596966D+01 -0.636854D+01  0.749016D+01 -0.776690D+00  0.417568D+01
               296           297           298           299           300 
      1  -0.188087D+01 -0.601251D+00  0.660895D+00 -0.332738D+01 -0.941488D+00
      2   0.110846D+01  0.296834D+01  0.271904D+01  0.171923D+01  0.330555D+01
      3   0.105709D+01 -0.137071D+01 -0.662030D+01  0.302820D+01 -0.479533D+01
               301           302           303           304           305 
      1  -0.112314D+01  0.530107D+00 -0.521932D+01  0.234329D+00  0.162158D+01
      2   0.134924D+01  0.121442D+02  0.818737D+01  0.220316D+01  0.293335D+01
      3  -0.184311D+01 -0.266669D+02 -0.118245D+02 -0.521108D+01 -0.906674D+01
               306           307           308           309           310 
      1  -0.376677D+01 -0.340735D+01  0.402705D+00  0.265678D+01  0.320637D+01
      2   0.472506D+01 -0.370482D+01 -0.175255D+00  0.439068D+01  0.347628D+01
      3  -0.444283D+01  0.124299D+02 -0.544267D+01  0.704495D+00 -0.946680D+01
               311           312           313           314           315 
      1  -0.434194D+01 -0.347907D+01  0.303331D+00  0.286513D+00 -0.285229D+00
      2  -0.630086D+01 -0.472398D+01  0.249521D+00  0.136124D+01 -0.396013D+00
      3   0.224739D+02  0.301255D+01 -0.101586D+01  0.733664D+01 -0.212192D+01
               316           317           318           319           320 
      1   0.139404D+01  0.754087D+00  0.301491D+00  0.105326D+01  0.266634D+01
      2   0.692082D+01  0.128684D+00  0.867298D+01  0.410196D+01  0.411658D+01
      3  -0.157024D+02 -0.325591D+01 -0.397316D+01 -0.824456D+01 -0.117093D+02
               321           322           323           324           325 
      1   0.254593D+00  0.228869D+00  0.359426D+00 -0.616679D+00 -0.181223D+01
      2   0.271891D+01  0.401086D+00 -0.138614D+01  0.182307D+01  0.250388D+01
      3  -0.400275D+01 -0.711267D+01 -0.487951D+01  0.152044D+01 -0.169273D+02
               326           327           328           329           330 
      1   0.233567D+01  0.433724D+01  0.399818D+01 -0.111081D+01 -0.463325D+01
      2   0.423120D+00  0.344499D+01  0.177657D+01  0.237300D+00 -0.301661D+01
      3  -0.995160D+00  0.182226D+01 -0.104918D+01 -0.404046D+01 -0.197287D+01
               331           332           333           334           335 
      1  -0.254220D+01 -0.136397D+01 -0.139498D+01 -0.108213D+01 -0.136190D+01
      2  -0.113501D+01 -0.276356D+00 -0.151919D+01 -0.270864D+01 -0.255042D+01
      3  -0.192204D+01 -0.687545D+01  0.369624D+01  0.132284D+02  0.127406D+02
               336           337           338           339           340 
      1  -0.149910D+01 -0.112311D+01 -0.735131D+01 -0.858844D+01  0.281446D+01
      2  -0.885520D-01 -0.161117D+01 -0.695375D+01 -0.248669D+01  0.747156D+00
      3   0.143689D+01  0.520240D+01  0.253992D+02  0.892052D+01 -0.158882D+01
               341           342           343           344           345 
      1   0.149931D+01 -0.289275D+01 -0.158800D+01 -0.119746D+01 -0.161594D+01
      2  -0.116521D+01 -0.303024D+00  0.993504D+00  0.339656D-01  0.579477D+00
      3   0.785565D+01 -0.162438D+00  0.801402D-01  0.281137D+01  0.200244D+01
               346           347           348           349           350 
      1  -0.279889D+01 -0.711771D+01 -0.823212D+01 -0.751071D+00 -0.176948D+01
      2  -0.284218D-01  0.372776D+01  0.283144D+01 -0.557895D+00  0.627817D+00
      3   0.504815D+01 -0.199035D+01 -0.270490D+00  0.278193D+01 -0.327663D+01
               351           352           353           354           355 
      1  -0.296345D+01 -0.243026D+00 -0.250932D+00 -0.315250D+01 -0.249705D+01
      2   0.645190D+00 -0.103268D+01 -0.467710D+00  0.460703D+01  0.270966D+01
      3  -0.125038D+00  0.286569D+02  0.732627D+01 -0.144287D+01  0.475654D+01
               356           357           358           359           360 
      1  -0.133046D+01 -0.125245D+01  0.359685D+00  0.104210D-01 -0.518893D+00
      2   0.110478D+01  0.107435D+01 -0.880588D+00 -0.530551D+00  0.494878D+00
      3   0.280654D+01  0.188695D+01 -0.391785D+01  0.751787D+00  0.305252D+00
               361           362           363           364           365 
      1   0.345439D+01 -0.580948D+01 -0.134645D+01 -0.180635D+01  0.848801D+01
      2   0.576391D+01  0.116596D+01  0.161867D+02 -0.360617D+01 -0.609905D+01
      3   0.937255D+01 -0.324848D+02  0.131345D+01  0.592046D+01  0.287754D+02
               366           367           368           369           370 
      1  -0.409427D+01 -0.746177D+01  0.149324D+02  0.683188D+01  0.121929D+01
      2  -0.417535D+01 -0.149123D+01 -0.486107D+01 -0.112482D+02 -0.210686D+01
      3   0.610937D+01  0.921331D+01  0.156035D+02  0.145492D+02  0.318187D+01
               371           372           373           374           375 
      1   0.469729D+01 -0.723241D+00  0.151521D+01  0.789445D+01 -0.159658D+01
      2  -0.205037D+01 -0.482418D+00 -0.225344D+01 -0.354341D+01 -0.953146D+00
      3   0.462924D+01 -0.115190D+01  0.890302D+01  0.159472D+02 -0.295159D+01
               376           377           378 
      1   0.678889D+00  0.416116D+01  0.460254D+00
      2  -0.198325D+01 -0.185381D+01 -0.908800D-01
      3  -0.411024D+01  0.529718D+00  0.448996D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287935D+01 -0.387395D+01  0.241065D+01  0.153109D+01 -0.155735D-02
      2  -0.221394D+01  0.214735D+01  0.299970D+01  0.188695D+01 -0.186761D+01
      3  -0.665411D+00  0.172660D+01 -0.541035D+01 -0.341804D+01  0.186917D+01
      4   0.401167D+00 -0.827962D+00  0.735119D+00  0.177560D+00 -0.139377D+00
      5  -0.838125D+01  0.817886D+01  0.265508D+01  0.748775D+01 -0.875472D+01
      6   0.386385D+01 -0.580629D+01 -0.275402D+00 -0.313937D+01  0.706675D+01
                 6             7             8             9            10 
      1  -0.335294D+01  0.166722D+01 -0.353078D+01 -0.213180D+00 -0.137834D+02
      2  -0.466594D+01  0.149984D+01 -0.192029D+01 -0.196320D+01  0.161142D+02
      3   0.801888D+01 -0.316706D+01  0.545106D+01  0.217638D+01 -0.233077D+01
      4   0.803672D+00  0.161360D+01  0.582804D+00  0.413061D+00  0.234515D+02
      5  -0.421639D+01  0.170122D+01 -0.160549D+01 -0.456671D+01 -0.268964D+02
      6   0.286717D+01 -0.465835D+00  0.285934D+01  0.424958D+01  0.143650D+02
                11            12            13            14            15 
      1   0.141623D+02  0.110228D+02 -0.153103D+02  0.105744D+02 -0.935491D+01
      2  -0.145199D+00  0.326023D+02  0.188132D+02 -0.543634D+01  0.149221D+02
      3  -0.140171D+02 -0.436252D+02 -0.350292D+01 -0.513808D+01 -0.556723D+01
      4   0.970669D+00  0.945051D+01  0.909369D+01  0.173763D+02  0.890971D+01
      5   0.838047D+01  0.286045D+01 -0.144614D+02  0.122509D+01  0.602417D-01
      6  -0.710237D+01  0.169188D+02  0.139957D+02  0.526860D+01  0.124099D+02
                16            17            18            19            20 
      1  -0.143773D+02  0.100875D+02 -0.407745D+01  0.228319D+02 -0.200547D+02
      2   0.362761D+02 -0.978253D+01  0.276279D+02 -0.195427D+02  0.122370D+02
      3  -0.218988D+02 -0.304934D+00 -0.235504D+02 -0.328922D+01  0.781768D+01
      4   0.172758D+02  0.130222D+01  0.281104D+02 -0.286410D+02  0.679772D+01
      5  -0.141994D+02  0.176783D+02 -0.253530D+02  0.258887D+02 -0.233885D+02
      6   0.265015D+02 -0.118409D+02  0.223497D+02 -0.235839D+02  0.174621D+02
                21            22            23            24            25 
      1   0.153282D+02 -0.133624D+01  0.223260D+02  0.121839D+02  0.554681D+01
      2   0.252559D+01 -0.135515D+02 -0.137036D+02 -0.600674D+01 -0.205727D+02
      3  -0.178538D+02  0.148878D+02 -0.862239D+01 -0.617717D+01  0.150259D+02
      4  -0.210597D+02  0.147090D+02 -0.316613D+01  0.264889D+01 -0.177662D+02
      5   0.386550D+01  0.103151D+02  0.126213D+02  0.149772D+02  0.218711D+02
      6  -0.386996D+01  0.924911D+01 -0.122099D+02 -0.358354D+01 -0.216121D+02
                26            27            28            29            30 
      1  -0.185795D+01 -0.199808D+02 -0.189084D+01  0.347439D+00 -0.255651D+01
      2   0.123890D+02 -0.411195D+02 -0.819510D+01 -0.125559D+01 -0.989069D+01
      3  -0.105310D+02  0.611003D+02  0.100859D+02  0.908149D+00  0.124472D+02
      4  -0.289256D+01 -0.183638D+02  0.535804D+00  0.241733D+01  0.711164D+00
      5  -0.165324D+02  0.900541D+01  0.694919D+01  0.410118D+01  0.130792D+02
      6   0.314059D+01 -0.433262D+02  0.143118D+01  0.177046D+01 -0.186770D+01
                31            32            33            34            35 
      1  -0.381897D+01 -0.128016D+02 -0.228115D+02 -0.463240D+01 -0.110001D+02
      2  -0.592820D+01 -0.124471D+02 -0.261511D+02 -0.105291D+02 -0.151710D+02
      3   0.974717D+01  0.252487D+02  0.489627D+02  0.151615D+02  0.261711D+02
      4   0.426991D+01  0.743715D+01  0.912063D+01  0.375482D+01  0.573953D+01
      5   0.535512D+01  0.664768D+01  0.899967D+01  0.107457D+02  0.830821D+01
      6   0.675767D+01  0.177385D+02  0.198116D+02  0.636496D+01  0.122069D+02
                36            37            38            39            40 
      1  -0.252893D+02  0.346417D+00  0.131920D+02 -0.642210D+01  0.331420D+02
      2  -0.339509D+02 -0.449757D+01 -0.218091D+02 -0.720887D+01 -0.212925D+02
      3   0.592402D+02  0.415116D+01  0.861717D+01  0.136310D+02 -0.118495D+02
      4   0.961535D+01  0.356276D+01  0.673401D+01  0.683332D+01 -0.352660D+02
      5   0.178451D+02 -0.685897D+01  0.148195D+02 -0.145856D+01  0.185064D+02
      6   0.211711D+02  0.102557D+02 -0.277951D+01  0.860871D+01 -0.243279D+02
                41            42            43            44            45 
      1  -0.214965D+02  0.117312D+02 -0.170856D+02 -0.337568D+01 -0.411131D+02
      2   0.108715D+02  0.131578D+02  0.180132D+01  0.644633D+01 -0.133167D+02
      3   0.106250D+02 -0.248890D+02  0.152843D+02 -0.307065D+01  0.544298D+02
      4   0.915694D+01 -0.183975D+02 -0.304919D+02  0.176924D+02 -0.213064D+02
      5  -0.227664D+02 -0.312291D+01  0.545968D+01 -0.183867D+02  0.823237D+01
      6   0.191476D+02  0.303538D+01 -0.338635D+02  0.337808D+02 -0.426725D+02
                46            47            48            49            50 
      1   0.256810D+02 -0.933733D+00  0.956112D+01 -0.336713D+01  0.761268D+00
      2  -0.449792D+02  0.536220D+01 -0.362335D+02 -0.238689D+01 -0.335707D+01
      3   0.192981D+02 -0.442847D+01  0.266724D+02  0.575402D+01  0.259580D+01
      4  -0.251913D+02  0.892296D+01 -0.190089D+02  0.997591D+01 -0.393278D+01
      5   0.646427D+02 -0.103880D+02  0.530508D+02 -0.250756D+01  0.775601D+01
      6  -0.247829D+02  0.978730D+01 -0.237668D+02  0.790175D+01 -0.409001D+01
                51            52            53            54            55 
      1  -0.320360D+01  0.122575D+02  0.680429D+00  0.490923D+01  0.159866D+02
      2  -0.639274D+01 -0.368129D+02  0.160901D+01 -0.362597D+02 -0.515131D+01
      3   0.959634D+01  0.245554D+02 -0.228944D+01  0.313505D+02 -0.108353D+02
      4   0.671088D+01 -0.128036D+02  0.436549D+01 -0.118878D+02  0.196129D+02
      5   0.141155D+01  0.484098D+02 -0.474998D+01  0.472013D+02 -0.405733D+01
      6   0.544928D+01 -0.153337D+02  0.604167D+01 -0.164938D+02  0.171658D+02
                56            57            58            59            60 
      1   0.100888D+02  0.111304D+02  0.260034D+01 -0.128605D+02  0.151036D+02
      2  -0.811958D+01 -0.793918D+01  0.242828D+02 -0.722200D+00  0.531921D+01
      3  -0.196925D+01 -0.319123D+01 -0.268831D+02  0.135827D+02 -0.204228D+02
      4  -0.128562D+02  0.169492D+02  0.979144D+01  0.964013D+00  0.247101D+02
      5   0.135349D+02  0.669359D+01 -0.232042D+02  0.182578D+02 -0.188630D+02
      6  -0.223402D+02  0.908427D+01  0.264660D+02 -0.322480D+02  0.365918D+02
                61            62            63            64            65 
      1  -0.179871D+02  0.283078D+02  0.134510D+02  0.130670D+02 -0.413780D+01
      2   0.298684D+02 -0.301081D+02  0.123516D+02  0.115890D+02 -0.165303D+02
      3  -0.118813D+02  0.180029D+01 -0.258027D+02 -0.246560D+02  0.206681D+02
      4   0.374031D+02  0.248313D+01  0.177041D+02 -0.472512D+02  0.420408D+02
      5  -0.189500D+02  0.167963D+02 -0.819822D+01  0.155459D+02 -0.130597D+02
      6   0.268694D+02  0.815635D-01  0.131177D+02 -0.199398D+02  0.217890D+02
                66            67            68            69            70 
      1  -0.312849D+00 -0.581016D+01 -0.262014D+01  0.207522D+01  0.171593D+01
      2   0.250533D+01 -0.202886D+02  0.322225D+02 -0.377164D+01 -0.377152D+01
      3  -0.219248D+01  0.260988D+02 -0.296024D+02  0.169641D+01  0.205559D+01
      4  -0.935868D+01  0.441504D+02 -0.475583D+02  0.579859D+01 -0.591300D+00
      5   0.696560D+01 -0.943124D+01  0.956208D+01 -0.486988D+01  0.623803D+01
      6  -0.941611D+01  0.178965D+02 -0.225459D+02  0.753923D+01 -0.569369D+01
                71            72            73            74            75 
      1  -0.172819D+01 -0.177185D+00 -0.218091D+02 -0.119607D+02 -0.214745D+02
      2   0.709926D+01  0.302484D+01 -0.223056D+02  0.125097D+02 -0.233807D+02
      3  -0.537107D+01 -0.284765D+01  0.441147D+02 -0.549059D+00  0.448552D+02
      4  -0.269652D+01 -0.629910D+01 -0.487273D+02  0.943010D+01 -0.340161D+02
      5  -0.480270D+01  0.226419D+01  0.201680D+02 -0.137157D+02  0.162481D+02
      6   0.355687D+01 -0.256947D+01 -0.389450D+02  0.397368D+01 -0.309526D+02
                76            77            78            79            80 
      1   0.378898D+02 -0.374990D+02  0.225576D+02  0.279853D+01 -0.121708D+02
      2   0.411869D+02  0.580890D+02  0.808796D+02  0.973909D+01  0.253192D+02
      3  -0.790767D+02 -0.205900D+02 -0.103437D+03 -0.125376D+02 -0.131484D+02
      4   0.439548D+02 -0.280234D+02  0.432553D+02 -0.301207D+01 -0.712696D+01
      5  -0.390994D+02 -0.658870D+01 -0.401051D+02 -0.497900D+01 -0.124503D+02
      6   0.546025D+02 -0.164619D+01  0.633190D+02  0.155284D+01  0.171836D+02
                81            82            83            84            85 
      1  -0.772144D+01 -0.505028D+02  0.775506D+02 -0.882335D+01 -0.183911D+02
      2   0.399489D+02 -0.326086D+01 -0.734956D+02 -0.342588D+02 -0.110807D+02
      3  -0.322274D+02  0.537637D+02 -0.405503D+01  0.430821D+02  0.294718D+02
      4  -0.210382D+01 -0.416715D+02  0.184008D+02 -0.209703D+02 -0.237817D+02
      5  -0.179682D+02  0.115262D+02  0.105405D+02  0.239354D+02  0.103396D+02
      6   0.110777D+02 -0.205559D+02 -0.119355D+02 -0.430890D+02 -0.952218D+01
                86            87            88            89            90 
      1  -0.271198D+01  0.428561D+01 -0.470656D+02  0.784770D+02 -0.276537D+02
      2  -0.479934D+01 -0.471756D+02  0.215884D+01 -0.991977D+02 -0.251695D+02
      3   0.751131D+01  0.428900D+02  0.449068D+02  0.207208D+02  0.528232D+02
      4   0.294128D+02 -0.610258D+01 -0.148247D+02  0.147223D+02 -0.273369D+02
      5   0.744437D+01  0.173339D+02  0.276201D+02  0.777461D+01  0.209553D+02
      6  -0.208454D+02 -0.110926D+02 -0.444635D+02  0.255232D+02 -0.544494D+02
                91            92            93            94            95 
      1   0.641813D+02 -0.298295D+02  0.373583D+02 -0.537728D+01  0.256264D+01
      2   0.192302D+02  0.332119D+02  0.489722D+02 -0.483259D+02 -0.152714D+02
      3  -0.834115D+02 -0.338240D+01 -0.863305D+02  0.537032D+02  0.127087D+02
      4   0.590721D+02 -0.275997D+02  0.447554D+02 -0.347195D+02  0.531877D+00
      5  -0.346372D+02 -0.638880D+01 -0.290024D+02  0.256616D+02 -0.720367D+01
      6   0.525859D+02 -0.372039D+01  0.587943D+02 -0.466036D+02  0.985889D+00
                96            97            98            99           100 
      1  -0.679112D+01  0.330223D+02 -0.226013D+02  0.225204D+02 -0.394393D+02
      2  -0.589381D+02 -0.185449D+02  0.140840D+02 -0.727697D+01 -0.943642D+01
      3   0.657293D+02 -0.144774D+02  0.851729D+01 -0.152434D+02  0.488757D+02
      4  -0.415738D+02  0.834883D+01 -0.273788D+02  0.518953D+01 -0.302687D+02
      5   0.329078D+02 -0.354472D+00 -0.381936D+01 -0.464703D+01  0.253238D+01
      6  -0.469530D+02  0.449351D+01 -0.338605D+01  0.476882D+01 -0.250370D+02
               101           102           103           104           105 
      1  -0.119948D+02 -0.220441D+02 -0.111626D+03  0.149585D+03 -0.686179D+02
      2  -0.184445D+01 -0.211539D+02  0.520264D+02 -0.116253D+03  0.298467D+02
      3   0.138393D+02  0.431980D+02  0.595991D+02 -0.333315D+02  0.387711D+02
      4   0.393993D+02 -0.221121D+02 -0.585051D+02 -0.243127D+02 -0.436609D+02
      5   0.174345D+02  0.147746D+02 -0.217180D+01 -0.348657D+02 -0.359619D+01
      6  -0.880353D-01 -0.249139D+02 -0.542081D+02  0.158717D+02 -0.298122D+02
               106           107           108           109           110 
      1  -0.855770D+02  0.658163D+02 -0.463490D+02 -0.118983D+02  0.558330D+02
      2   0.268588D+02 -0.499188D+02 -0.532042D+01  0.488856D+02 -0.676613D+02
      3   0.587182D+02 -0.158975D+02  0.516694D+02 -0.369873D+02  0.118283D+02
      4  -0.424667D+02  0.100515D+02 -0.310411D+02  0.631670D+02  0.406224D+02
      5   0.554345D+01 -0.414235D+01 -0.167546D+01  0.149543D+02  0.185006D+02
      6  -0.386972D+02  0.550240D+01 -0.373049D+02  0.394999D+02 -0.104721D+02
               111           112           113           114           115 
      1   0.319117D+02  0.142558D+03 -0.181094D+03  0.772026D+02  0.600436D+02
      2  -0.332644D+01 -0.694117D+02  0.152502D+03 -0.185857D+02 -0.118892D+02
      3  -0.285852D+02 -0.731464D+02  0.285924D+02 -0.586169D+02 -0.481544D+02
      4   0.452883D+02  0.599533D+02 -0.104469D+02  0.368907D+02  0.454089D+02
      5   0.100670D+02 -0.623275D+01  0.241093D+02 -0.156957D+01  0.290362D+01
      6   0.222402D+02  0.524136D+02 -0.179427D+02  0.349869D+02  0.416492D+02
               116           117           118           119           120 
      1  -0.464103D+02  0.344174D+02  0.972807D+02 -0.137715D+03  0.434486D+02
      2   0.184730D+02 -0.252302D+01 -0.450041D+02  0.148160D+03  0.189781D+01
      3   0.279374D+02 -0.318944D+02 -0.522767D+02 -0.104459D+02 -0.453464D+02
      4  -0.654044D+01  0.412728D+02  0.497245D+02 -0.500576D+02  0.155476D+02
      5   0.248024D+02  0.100489D+01 -0.202582D+02 -0.947987D+01 -0.176539D+02
      6   0.325764D+01  0.359069D+02  0.248628D+02 -0.301482D+02  0.226476D+02
               121           122           123           124           125 
      1  -0.556219D+02  0.782312D+02 -0.143377D+02  0.482760D+02 -0.381927D+02
      2   0.492230D+02 -0.578215D+02  0.380740D+01 -0.353355D+02  0.326083D+02
      3   0.639893D+01 -0.204096D+02  0.105303D+02 -0.129405D+02  0.558436D+01
      4   0.991331D+01  0.294722D+02 -0.196468D+01  0.155151D+02 -0.392828D+02
      5   0.618323D+01 -0.832703D+01  0.668066D+01 -0.675071D+00 -0.538159D+01
      6  -0.113652D+02 -0.110705D+02 -0.169752D+02  0.239406D+02 -0.642072D+01
               126           127           128           129           130 
      1   0.116108D+02 -0.112144D+03  0.125327D+03 -0.356119D+02 -0.204508D+02
      2   0.203876D+01  0.726410D+02 -0.507544D+02  0.285255D+02  0.163663D+02
      3  -0.136496D+02  0.395029D+02 -0.745731D+02  0.708635D+01  0.408450D+01
      4   0.985831D+01 -0.807068D+01 -0.139616D+03 -0.779604D+01  0.525016D+01
      5  -0.170377D+02 -0.120555D+02 -0.901174D+02 -0.514617D+01 -0.944813D+01
      6   0.478998D+02 -0.164013D+02  0.652528D+00 -0.700714D+01  0.220362D+02
               131           132           133           134           135 
      1  -0.526113D+02  0.128514D+02 -0.322179D+02  0.212656D+02 -0.125034D+02
      2   0.568392D+02 -0.199383D+02  0.266961D+02  0.392598D+01  0.448037D+01
      3  -0.422786D+01  0.708688D+01  0.552188D+01 -0.251916D+02  0.802299D+01
      4  -0.445948D+02  0.137576D+02  0.614507D+01 -0.539552D+02  0.462299D+00
      5  -0.325910D+02  0.607435D+01 -0.113866D+02 -0.365243D+02 -0.847095D+01
      6  -0.102768D+02 -0.162133D+01  0.577048D+00 -0.521543D+00  0.318846D+00
               136           137           138           139           140 
      1   0.140907D+03 -0.131498D+03  0.367764D+02 -0.405374D+02  0.602007D+02
      2  -0.832255D+02  0.547285D+02 -0.167448D+02  0.316201D+02 -0.840207D+02
      3  -0.576815D+02  0.767690D+02 -0.200316D+02  0.891723D+01  0.238200D+02
      4  -0.106907D+02  0.129102D+03 -0.566180D+01  0.635953D+02  0.740033D+02
      5   0.998894D+01  0.921713D+02 -0.259348D+01  0.177503D+02  0.504914D+02
      6   0.566727D+01  0.386947D+01  0.779292D+01  0.244942D+02 -0.871852D+00
               141           142           143           144           145 
      1   0.316574D+00  0.580165D+01 -0.246365D+02  0.211198D+02  0.280387D+02
      2   0.816598D+00 -0.637359D+01 -0.448157D+01 -0.249573D+02  0.587354D+01
      3  -0.113317D+01  0.571936D+00  0.291180D+02  0.383753D+01 -0.339122D+02
      4   0.266417D+02  0.115633D+02  0.593633D+02  0.152511D+02  0.467531D+02
      5   0.102930D+02  0.313061D+02  0.488406D+02  0.140596D+02 -0.151824D+02
      6   0.717199D+01  0.180428D+02  0.195747D+01  0.619132D+00  0.148454D+02
               146           147           148           149           150 
      1  -0.279341D+02  0.268149D+01 -0.645916D+01  0.240032D+02 -0.339468D+02
      2   0.142797D+02 -0.121646D+00 -0.115316D+02  0.366897D+02  0.279639D+02
      3   0.136544D+02 -0.255985D+01  0.179907D+02 -0.606929D+02  0.598287D+01
      4   0.464902D+02  0.205186D+02 -0.632741D+02 -0.117694D+03 -0.429009D+02
      5   0.135003D+02  0.994954D+01 -0.345660D+02 -0.799388D+02 -0.273685D+02
      6   0.927760D+01  0.178159D+02 -0.466519D+02 -0.633708D+01 -0.254143D+02
               151           152           153           154           155 
      1  -0.223484D+02 -0.147073D+02  0.391955D+01 -0.453106D+02  0.155042D+02
      2  -0.111996D+02  0.231430D+02 -0.189241D+02 -0.877089D+01  0.428505D+02
      3   0.335480D+02 -0.843568D+01  0.150045D+02  0.540815D+02 -0.583547D+02
      4  -0.410701D+02 -0.261126D+02  0.246971D+01 -0.781587D+02 -0.451701D+02
      5   0.209142D+02 -0.210213D+02  0.207397D+02 -0.205804D+02 -0.525719D+02
      6   0.589139D+01  0.301165D+01  0.725041D+01 -0.526421D+02 -0.245764D+01
               156           157           158           159           160 
      1  -0.426587D+02  0.521434D+02 -0.103538D+02  0.365509D+02 -0.247568D+01
      2   0.201508D+02 -0.218457D+02 -0.152487D+01 -0.300559D+02 -0.207182D+02
      3   0.225080D+02 -0.302977D+02  0.118787D+02 -0.649494D+01  0.231939D+02
      4  -0.599169D+02  0.612068D+02  0.648106D+02  0.111580D+02 -0.310515D+02
      5  -0.259753D+02  0.159219D+02  0.216608D+02  0.139588D+02  0.405323D+01
      6  -0.366215D+02  0.151454D+02 -0.151543D+02  0.753077D+01 -0.170856D+02
               161           162           163           164           165 
      1  -0.114110D+02 -0.295267D+02 -0.920803D+02 -0.841964D+02 -0.406777D+01
      2  -0.127871D+02 -0.481150D+01  0.614449D+02  0.953604D+02  0.546861D+01
      3   0.241982D+02  0.343382D+02  0.306354D+02 -0.111640D+02 -0.140085D+01
      4  -0.299694D+02 -0.397632D+01  0.606749D+02 -0.167358D+02 -0.151551D+02
      5   0.118478D+02  0.121757D+02 -0.539321D+02 -0.592484D+02 -0.207151D+01
      6   0.205190D+02  0.321521D+01 -0.984619D+01  0.266519D+02  0.306691D+01
               166           167           168           169           170 
      1   0.830756D+02  0.432330D+02  0.155729D+01  0.251451D+02  0.124938D+02
      2  -0.626491D+02 -0.885103D+02  0.347534D+01 -0.206546D+02 -0.190218D+02
      3  -0.204265D+02  0.452772D+02 -0.503263D+01 -0.449050D+01  0.652800D+01
      4  -0.201276D+02  0.868145D+02 -0.979172D+01 -0.292923D+01  0.266318D+02
      5   0.318241D+02  0.727974D+02 -0.483852D+01  0.609482D+01  0.255579D+02
      6  -0.193862D+02 -0.878641D+01 -0.265196D+01 -0.149610D+01 -0.162546D+01
               171           172           173           174           175 
      1  -0.739852D+01  0.142714D+03  0.215242D+02 -0.445741D+01 -0.468258D+02
      2  -0.318621D+01 -0.907797D+02 -0.279602D+02  0.938840D+01  0.405509D+02
      3   0.105847D+02 -0.519341D+02  0.643597D+01 -0.493099D+01  0.627487D+01
      4   0.175344D+01 -0.845911D+02 -0.560074D+01 -0.715458D+01  0.425364D+01
      5   0.315150D+01  0.454156D+02  0.432609D+02 -0.750083D+01 -0.527894D+02
      6  -0.404884D+01 -0.172601D+02 -0.500521D+01 -0.389982D+01  0.143997D+01
               176           177           178           179           180 
      1  -0.104818D+03 -0.681281D+01  0.378582D+01 -0.259891D+02 -0.178429D+01
      2   0.163056D+03  0.135831D+02  0.621141D+01  0.418740D+02  0.223910D+01
      3  -0.582382D+02 -0.677028D+01 -0.999723D+01 -0.158849D+02 -0.454811D+00
      4  -0.103625D+03 -0.943820D+01 -0.762936D+01 -0.224920D+02 -0.198105D+02
      5  -0.104369D+03 -0.155329D+01  0.238813D+01 -0.390712D+02 -0.109515D+02
      6   0.430871D+02  0.298018D+01 -0.140925D+02  0.262703D+02  0.470061D+00
               181           182           183           184           185 
      1  -0.850571D+02  0.963094D+01  0.364154D+01 -0.138186D+03  0.272270D+02
      2   0.475537D+02 -0.162203D+02 -0.688977D+01  0.995095D+02 -0.207469D+02
      3   0.375034D+02  0.658938D+01  0.324823D+01  0.386767D+02 -0.648009D+01
      4   0.574294D+02  0.161252D+02  0.147031D+02  0.412892D+02 -0.250448D+02
      5  -0.274574D+02 -0.988962D+01  0.117722D+02 -0.349412D+02 -0.191704D+02
      6   0.176069D+02 -0.691765D+01 -0.166603D+01  0.250003D+02 -0.112619D+02
               186           187           188           189           190 
      1  -0.130708D+02 -0.700042D+02  0.241768D+02  0.165171D+02 -0.131115D+02
      2   0.512751D+01  0.494450D+02 -0.241360D+02 -0.145917D+02  0.577495D+01
      3   0.794326D+01  0.205592D+02 -0.408698D-01 -0.192538D+01  0.733656D+01
      4   0.301157D+02  0.143826D+02  0.126153D+02 -0.165246D+02  0.231710D+00
      5  -0.107419D+02  0.271049D+02 -0.479086D+02 -0.142061D+02 -0.131359D+02
      6   0.108252D+02 -0.305720D+01  0.160247D+02 -0.172805D+01  0.334637D+01
               191           192           193           194           195 
      1   0.446649D+02 -0.221627D+02  0.155736D+03 -0.961869D+02 -0.380337D+01
      2  -0.370551D+02  0.117732D+02 -0.983135D+02  0.680586D+02  0.121165D+02
      3  -0.760978D+01  0.103894D+02 -0.574227D+02  0.281283D+02 -0.831314D+01
      4   0.147702D+02  0.615529D+01 -0.767887D+02  0.558604D+02 -0.271060D+02
      5  -0.367106D+01  0.116943D+02 -0.151554D+02  0.395375D+02 -0.206248D+01
      6  -0.142254D+01  0.161628D+01 -0.188094D+02  0.750721D+01 -0.268712D+01
               196           197           198           199           200 
      1   0.771018D+01 -0.307944D+02  0.209444D+02  0.372694D+02  0.522278D+02
      2  -0.116479D+02  0.191759D+02 -0.224163D+02 -0.391642D+02 -0.514581D+02
      3   0.393775D+01  0.116184D+02  0.147188D+01  0.189489D+01 -0.769707D+00
      4  -0.428439D+02  0.706938D+01 -0.981002D+01 -0.294167D+02 -0.936561D+01
      5   0.467794D+02  0.223856D+02  0.214374D+02  0.263291D+02  0.356512D+02
      6  -0.156587D+02  0.207553D+01 -0.115388D+02  0.768973D+01 -0.179533D+02
               201           202           203           204           205 
      1  -0.342079D+01  0.233962D+01  0.300052D+02  0.922707D+01  0.145983D+01
      2  -0.157752D+01  0.224243D+02 -0.417144D+02 -0.173125D+02  0.110061D+02
      3   0.499831D+01 -0.247639D+02  0.117092D+02  0.808542D+01 -0.124660D+02
      4   0.125056D+02 -0.132083D+03 -0.258268D+02  0.280500D+02 -0.531770D+02
      5   0.431956D+01  0.451192D+02  0.778880D+01 -0.933249D+01  0.195702D+02
      6  -0.564852D+01  0.252666D+02 -0.770002D+01 -0.559218D+01  0.965083D+01
               206           207           208           209           210 
      1   0.752440D+01  0.316155D+01  0.990220D+01  0.113241D+03  0.161294D+02
      2  -0.747985D+01 -0.120575D+02 -0.134984D+02 -0.138851D+03 -0.126483D+02
      3  -0.445532D-01  0.889598D+01  0.359617D+01  0.256099D+02 -0.348104D+01
      4  -0.616353D+01  0.851307D+01 -0.453965D+02  0.280443D+02  0.194512D+02
      5  -0.911835D+00  0.115197D+00  0.460781D+02  0.497818D+02  0.937444D+01
      6  -0.577957D+00 -0.694381D+01  0.400594D+01 -0.348191D+02 -0.227531D+02
               211           212           213           214           215 
      1   0.112084D+02  0.802655D+02  0.535015D+01 -0.719167D+01  0.235848D+02
      2  -0.237189D+02 -0.118768D+03 -0.108388D+02  0.203843D+02 -0.422109D+02
      3   0.125106D+02  0.385021D+02  0.548865D+01 -0.131926D+02  0.186261D+02
      4   0.793399D+00  0.563857D+02  0.250017D+02 -0.460958D+01  0.256340D+02
      5   0.248303D+02  0.760206D+02  0.362967D+01  0.339871D+02  0.120332D+02
      6   0.155012D+02 -0.441016D+02 -0.472129D+01 -0.353518D+02  0.412878D+01
               216           217           218           219           220 
      1  -0.355502D+01  0.156006D+02 -0.844133D+02 -0.123779D+02 -0.212644D+02
      2  -0.306536D+01 -0.295283D+02  0.109025D+03  0.158338D+02  0.251632D+02
      3   0.662038D+01  0.139278D+02 -0.246116D+02 -0.345587D+01 -0.389874D+01
      4  -0.236109D+02  0.113609D+03 -0.438469D+02 -0.414483D+02 -0.109795D+02
      5  -0.816464D+01 -0.544985D+02 -0.567740D+02 -0.447473D+01  0.137993D+02
      6   0.806716D+01 -0.228978D+02  0.308026D+02  0.211254D+02  0.316166D+01
               221           222           223           224           225 
      1  -0.101181D+02  0.169273D+02 -0.113393D+02  0.101721D+02 -0.237881D+02
      2   0.188171D+02 -0.246818D+02  0.512996D+01 -0.355311D+02  0.126610D+02
      3  -0.869900D+01  0.775443D+01  0.620935D+01  0.253590D+02  0.111271D+02
      4  -0.235226D+02  0.593282D+01 -0.104236D+02  0.482882D+00  0.303273D+01
      5  -0.487683D+01 -0.493427D+01  0.520861D+01 -0.139890D+02 -0.106328D+02
      6  -0.230924D+02  0.172851D+01  0.206808D+02  0.404905D+02  0.154246D+02
               226           227           228           229           230 
      1  -0.684756D+02  0.134495D+02  0.120942D+02  0.922392D+01 -0.484503D+02
      2   0.670505D+02 -0.147538D+02 -0.144563D+02 -0.336213D+02  0.663413D+02
      3   0.142511D+01  0.130436D+01  0.236213D+01  0.243974D+02 -0.178910D+02
      4  -0.207640D+02  0.423874D+02  0.259070D+02  0.135875D+03  0.235988D+02
      5   0.178898D+02  0.133602D+02 -0.694159D+01 -0.562382D+02 -0.167992D+02
      6   0.167158D+02 -0.678581D+01 -0.488976D+01 -0.288330D+02  0.126325D+02
               231           232           233           234           235 
      1  -0.664646D+01  0.104951D+02 -0.654209D+01 -0.189977D+02  0.510823D+02
      2   0.250332D+02 -0.176758D+02  0.939301D+01  0.175974D+02 -0.443515D+02
      3  -0.183868D+02  0.718075D+01 -0.285093D+01  0.140036D+01 -0.673086D+01
      4  -0.310398D+02  0.478886D+02  0.661888D+01 -0.129911D+02 -0.345144D+02
      5   0.102898D+02 -0.222132D+02 -0.390927D+01  0.769482D+01 -0.416624D+01
      6   0.819131D+01 -0.121562D+02  0.173893D+02  0.848533D+01 -0.271650D+01
               236           237           238           239           240 
      1  -0.280971D+01 -0.136731D+02 -0.327176D+01  0.498462D+01  0.150838D+02
      2  -0.117211D+02  0.651134D+01  0.526668D+01 -0.773620D-02 -0.199195D+02
      3   0.145308D+02  0.716172D+01 -0.199492D+01 -0.497688D+01  0.483570D+01
      4  -0.661843D+02 -0.148822D+02  0.284548D+02  0.127903D+02 -0.942459D+01
      5  -0.127142D+02 -0.212339D+01  0.290039D+01 -0.849389D+01 -0.718322D+00
      6   0.988693D+01  0.828464D+00 -0.791101D+01 -0.239989D+02  0.434398D+01
               241           242           243           244           245 
      1  -0.933089D+01  0.185842D+02 -0.891169D+01 -0.656439D+01 -0.273432D+02
      2   0.580564D+01 -0.249329D+02  0.731745D+01 -0.321518D+01  0.346583D+02
      3   0.352525D+01  0.634866D+01  0.159424D+01  0.977957D+01 -0.731510D+01
      4   0.247345D+02  0.940658D+01  0.138066D+02  0.259548D+02  0.358349D+02
      5   0.903862D+01  0.111748D+02  0.954643D+01 -0.151471D+02  0.762279D+01
      6   0.704150D+01  0.196073D+02  0.111039D+02 -0.213864D+00  0.496427D+00
               246           247           248           249           250 
      1  -0.595408D+01  0.512704D+02 -0.208095D+02 -0.208516D+02  0.377011D+02
      2   0.999758D+01 -0.540472D+02  0.475249D+01  0.163054D+02 -0.367662D+02
      3  -0.404350D+01  0.277683D+01  0.160570D+02  0.454620D+01 -0.934839D+00
      4   0.506631D+01 -0.219777D+02 -0.494608D+02 -0.260799D+02 -0.193977D+02
      5   0.194941D+02 -0.413823D+02 -0.160674D+02  0.747424D+01  0.137559D+02
      6   0.108408D+02 -0.218593D+02 -0.209304D+01  0.591016D+01  0.164571D+02
               251           252           253           254           255 
      1   0.209097D+01 -0.756074D+01  0.606242D+01  0.204019D+02 -0.388536D+01
      2  -0.116915D+02  0.235750D+01 -0.141686D+02  0.380366D+01  0.458126D+01
      3   0.960055D+01  0.520324D+01  0.810618D+01 -0.242056D+02 -0.695907D+00
      4  -0.414984D+02  0.109977D+02  0.801083D+02  0.232837D+02 -0.865617D+01
      5   0.276471D+01 -0.527706D+01 -0.155058D+02  0.508081D+01 -0.503100D+01
      6   0.169886D+02 -0.938426D+01 -0.524293D+01  0.681505D+01  0.577701D+01
               256           257           258           259           260 
      1  -0.284976D+02  0.880953D+01  0.105249D+02 -0.401716D+01 -0.371735D+01
      2   0.348332D+02  0.647627D+00  0.217923D+01  0.139534D+02  0.573663D+01
      3  -0.633561D+01 -0.945716D+01 -0.127041D+02 -0.993620D+01 -0.201928D+01
      4  -0.139275D+00  0.502860D+02  0.173154D+02 -0.199775D+02  0.163108D+02
      5   0.584633D+01  0.170574D+02  0.120316D+02  0.153855D+02  0.759389D+01
      6   0.130453D+02 -0.411321D+01 -0.280928D+01  0.180941D+02  0.173606D+01
               261           262           263           264           265 
      1   0.440395D+01 -0.326496D+02 -0.124368D+02  0.104654D+02 -0.108524D+02
      2  -0.834719D+01  0.431345D+02 -0.382792D+01 -0.218316D+02  0.750844D+01
      3   0.394325D+01 -0.104849D+02  0.162647D+02  0.113662D+02  0.334398D+01
      4   0.138742D+02 -0.810129D+02 -0.316060D+02  0.474181D+01  0.129752D+02
      5  -0.252527D+01  0.362493D+02 -0.227859D+02 -0.148860D+02  0.147921D+02
      6  -0.120498D+02  0.461694D+01  0.364345D+01 -0.354732D+01 -0.244576D+01
               266           267           268           269           270 
      1   0.921994D+01  0.716656D+01 -0.118211D+01  0.938401D+01 -0.980913D+01
      2  -0.179643D+02 -0.699464D+01 -0.148027D+01 -0.542250D+01 -0.889745D+01
      3   0.874431D+01 -0.171925D+00  0.266238D+01 -0.396151D+01  0.187066D+02
      4  -0.102721D+02 -0.476036D+00  0.164623D+02  0.787739D+01 -0.867776D+01
      5   0.384492D+01 -0.960612D+01  0.236816D+01 -0.569258D+01  0.120485D+01
      6  -0.782687D+01  0.462001D+00 -0.214138D+01  0.986934D+00 -0.829260D+01
               271           272           273           274           275 
      1  -0.938127D+01  0.210409D+02 -0.152494D+01  0.155759D+02 -0.365895D+02
      2   0.302859D+02 -0.500632D+02 -0.638975D+00 -0.364064D+02  0.778132D+02
      3  -0.209047D+02  0.290223D+02  0.216392D+01  0.208305D+02 -0.412238D+02
      4  -0.332423D+02  0.426501D+02  0.204541D+01  0.303034D+02 -0.470927D+02
      5  -0.267787D+01  0.424745D+01  0.328992D+01  0.569438D+01 -0.770738D+01
      6  -0.329046D+01  0.512467D+01 -0.722758D+01 -0.391390D+01  0.248973D+01
               276           277           278           279           280 
      1  -0.419755D+01  0.201375D+01 -0.814572D+01 -0.219855D+01 -0.187480D+01
      2   0.635525D+01 -0.628669D+01  0.133752D+02  0.319508D+01  0.572803D+01
      3  -0.215769D+01  0.427294D+01 -0.522951D+01 -0.996529D+00 -0.385323D+01
      4  -0.544457D+01 -0.353285D+01 -0.795228D+00 -0.694322D+01  0.818831D+01
      5  -0.254256D+01  0.291981D+01 -0.397463D+01 -0.252193D+00  0.145308D+01
      6   0.531411D+01 -0.546301D+01  0.770487D+01  0.140980D+01  0.895617D+01
               281           282           283           284           285 
      1  -0.818009D+01 -0.314883D+01 -0.681780D+01 -0.592755D+02 -0.293234D+02
      2   0.118604D+02  0.495797D+01  0.100464D+02  0.938344D+02  0.394338D+02
      3  -0.368035D+01 -0.180914D+01 -0.322858D+01 -0.345589D+02 -0.101104D+02
      4   0.142669D+02  0.100740D+02  0.774430D+01  0.252003D+02  0.973714D+01
      5   0.381600D+01  0.270737D+01  0.174757D+01 -0.124600D+01 -0.155694D+00
      6   0.876633D+01  0.101042D+02  0.529331D+01  0.484084D+02  0.322551D+02
               286           287           288           289           290 
      1  -0.524903D+01 -0.312104D+02 -0.217324D+02  0.103018D+03  0.243869D+02
      2   0.111082D+02  0.439154D+02  0.261601D+02 -0.640915D+02 -0.129717D+02
      3  -0.585918D+01 -0.127050D+02 -0.442775D+01 -0.389270D+02 -0.114152D+02
      4   0.101776D+02  0.176877D+02  0.116296D+02  0.622359D+02  0.244056D+02
      5   0.184068D+01  0.164690D+01  0.328575D+01  0.546962D+02  0.136104D+02
      6   0.436437D+01  0.346727D+02  0.240503D+02  0.162526D+02  0.660483D+01
               291           292           293           294           295 
      1   0.363804D+02  0.662150D+01  0.149394D+02  0.445195D+01  0.343778D+02
      2  -0.275789D+02 -0.145889D+01 -0.588964D+01 -0.264694D+01 -0.213870D+02
      3  -0.880147D+01 -0.516262D+01 -0.904979D+01 -0.180500D+01 -0.129908D+02
      4   0.236403D+02  0.247239D+02  0.129977D+02  0.116725D+02  0.264789D+02
      5   0.318834D+02  0.118269D+02  0.677167D+01  0.765192D+01  0.249997D+02
      6   0.978763D+01  0.950901D+01  0.431257D+01  0.642329D+01  0.784496D+01
               296           297           298           299           300 
      1   0.816027D+01  0.158446D+02 -0.149257D+00  0.542311D+01 -0.790853D+00
      2  -0.480425D+01 -0.121080D+02  0.576334D+01  0.190354D+01  0.161827D+01
      3  -0.335603D+01 -0.373654D+01 -0.561408D+01 -0.732666D+01 -0.827417D+00
      4   0.919645D+01  0.124066D+02  0.197775D+02  0.258853D+02  0.148095D+02
      5   0.903872D+01  0.169216D+02  0.914191D+01  0.127660D+02  0.101930D+02
      6   0.511405D+01  0.556812D+01  0.104534D+02  0.131892D+02  0.857927D+01
               301           302           303           304           305 
      1  -0.566153D+01 -0.339387D+02 -0.165603D+02 -0.513948D+01 -0.101000D+02
      2   0.174157D+02  0.538562D+02  0.198062D+02  0.729523D+01  0.202407D+02
      3  -0.117542D+02 -0.199175D+02 -0.324591D+01 -0.215576D+01 -0.101407D+02
      4   0.335508D+02  0.675304D+02  0.325919D+02  0.208926D+02  0.384485D+02
      5   0.117862D+02  0.249834D+02  0.170413D+02  0.114351D+02  0.146673D+02
      6   0.187742D+02  0.495046D+02  0.304623D+02  0.137925D+02  0.271908D+02
               306           307           308           309           310 
      1  -0.920572D+01  0.754912D+02 -0.429454D+02 -0.392059D+01 -0.415857D+02
      2   0.933941D+01 -0.282223D+02  0.136965D+02  0.226362D+01  0.734961D+01
      3  -0.133693D+00 -0.472689D+02  0.292490D+02  0.165697D+01  0.342361D+02
      4   0.210443D+02 -0.742791D+02  0.502228D+02  0.188550D+01  0.642590D+02
      5   0.133891D+02 -0.999747D+01  0.212092D+01  0.848305D+01  0.934132D+01
      6   0.221628D+02 -0.116221D+01  0.192149D+01 -0.387071D+01 -0.752030D+00
               311           312           313           314           315 
      1   0.288742D+02  0.420946D+01 -0.570424D+01  0.210146D+01  0.273616D+01
      2   0.194529D+01 -0.197541D+01  0.138173D+01  0.158166D+01 -0.623992D+00
      3  -0.308195D+02 -0.223406D+01  0.432250D+01 -0.368313D+01 -0.211217D+01
      4  -0.599923D+02 -0.501512D+01  0.105240D+02 -0.114390D+02 -0.488828D+01
      5  -0.112999D+02 -0.802064D+01  0.742411D+01 -0.171743D+01 -0.124199D+01
      6   0.187517D+01  0.477196D+01 -0.337548D+01  0.186801D+01  0.190792D+01
               316           317           318           319           320 
      1   0.160004D+03  0.883415D+01  0.296995D+02  0.203558D+02  0.120107D+02
      2  -0.986598D+02 -0.562669D+01 -0.211451D+02 -0.141075D+02 -0.760210D+01
      3  -0.613441D+02 -0.320746D+01 -0.855442D+01 -0.624830D+01 -0.440858D+01
      4   0.954198D+00  0.747033D+01 -0.144460D+01  0.189539D+02  0.588112D+01
      5   0.408579D+02  0.144291D+01  0.201820D+02  0.105761D+02  0.813052D+01
      6  -0.650756D+01  0.875535D+00 -0.239084D+01  0.167524D+01 -0.268282D+00
               321           322           323           324           325 
      1   0.660258D+01  0.424544D+02  0.415620D+01  0.130409D+02  0.179745D+02
      2  -0.547771D+01 -0.290978D+02 -0.198941D+01 -0.944188D+01  0.120508D+02
      3  -0.112487D+01 -0.133566D+02 -0.216680D+01 -0.359907D+01 -0.300253D+02
      4   0.400464D+01  0.325802D+01  0.307266D+01  0.539795D+00 -0.675536D+02
      5   0.518481D+01  0.168957D+02 -0.195653D+01  0.823517D+01 -0.152239D+02
      6   0.105341D+01 -0.106160D+01  0.194891D+01  0.604403D+00  0.111573D+02
               326           327           328           329           330 
      1  -0.478732D+01 -0.276792D+01  0.469876D+01 -0.861047D+01 -0.237153D+01
      2  -0.224979D+02 -0.242718D+01 -0.279658D+02  0.409528D+02  0.772944D+01
      3   0.272852D+02  0.519510D+01  0.232670D+02 -0.323423D+02 -0.535791D+01
      4   0.599204D+02  0.160335D+02  0.510867D+02 -0.659191D+02 -0.166677D+02
      5   0.144170D+02  0.103002D+02  0.141460D+02 -0.129120D+02 -0.825600D+01
      6  -0.120059D+02 -0.910156D+01 -0.147595D+02  0.159131D+02  0.110264D+02
               331           332           333           334           335 
      1   0.876620D+00 -0.311526D+00  0.293437D+00 -0.812433D+01 -0.173114D+02
      2  -0.935892D+01  0.549661D+01  0.311504D+01  0.118805D+02  0.227160D+02
      3   0.848230D+01 -0.518509D+01 -0.340848D+01 -0.375621D+01 -0.540460D+01
      4   0.158289D+02 -0.161544D+02 -0.791645D+01  0.469891D+01  0.158506D+02
      5   0.596981D+01 -0.759212D+01 -0.507360D+01 -0.881017D+00  0.248059D+01
      6  -0.349954D+01  0.945082D+01  0.491206D+01  0.450332D+01  0.737089D+01
               336           337           338           339           340 
      1  -0.441168D+01 -0.360840D+01 -0.855570D+02 -0.241312D+02 -0.498369D+00
      2   0.509259D+01  0.375267D+01  0.127353D+03  0.305637D+02  0.270391D+01
      3  -0.680912D+00 -0.144272D+00 -0.417962D+02 -0.643251D+01 -0.220554D+01
      4   0.337843D+01  0.650084D+01 -0.133959D+02 -0.384932D+01  0.440062D+00
      5   0.215082D+01  0.113723D+01 -0.585817D+01 -0.335601D+01  0.290404D+01
      6   0.396299D+01  0.255866D+01  0.467554D+02  0.225906D+02 -0.263528D+01
               341           342           343           344           345 
      1  -0.286752D+02 -0.106243D+02 -0.397570D+01 -0.654290D+01 -0.126518D+01
      2   0.412208D+02  0.132878D+02  0.130783D+02  0.185263D+02  0.373845D+01
      3  -0.125456D+02 -0.266350D+01 -0.910257D+01 -0.119834D+02 -0.247327D+01
      4  -0.688025D+01 -0.135968D+01  0.147649D+02  0.265457D+02  0.650731D+01
      5  -0.125832D+01 -0.399615D+00  0.246586D+01  0.510391D+01  0.382923D+01
      6   0.184387D+02  0.115963D+02  0.503576D+01  0.461191D+01  0.307191D+01
               346           347           348           349           350 
      1  -0.139157D+02 -0.570205D+02 -0.150412D+02 -0.349065D+01 -0.197496D+02
      2   0.270800D+02  0.980059D+02  0.222846D+02  0.576042D+01  0.297895D+02
      3  -0.131643D+02 -0.409854D+02 -0.724336D+01 -0.226977D+01 -0.100400D+02
      4   0.227164D+02  0.519754D+02  0.140524D+02  0.689630D+01  0.154981D+02
      5   0.597605D+01  0.134467D+02  0.638206D+01  0.208288D+01  0.527484D+01
      6   0.905474D+01  0.277366D+02  0.164982D+02  0.462219D+01  0.151659D+02
               351           352           353           354           355 
      1  -0.898743D+01  0.505250D+02  0.184744D+02 -0.487209D+00  0.100133D+02
      2   0.118088D+02 -0.137690D+02  0.986158D+00  0.355608D+00  0.589131D+01
      3  -0.282133D+01 -0.367561D+02 -0.194605D+02  0.131601D+00 -0.159046D+02
      4   0.602411D+01  0.719016D+02  0.405084D+02 -0.161061D+01  0.328386D+02
      5   0.325129D+01 -0.244953D+01 -0.854137D+00  0.739738D+01  0.258360D+01
      6   0.935577D+01 -0.573705D+01 -0.358596D+01  0.529808D+01  0.554524D+00
               356           357           358           359           360 
      1   0.643175D+01  0.707762D+00 -0.190678D+01 -0.611306D+00  0.251653D+01
      2   0.725042D+01 -0.304179D+00  0.367505D+01  0.198823D+01 -0.816729D+00
      3  -0.136822D+02 -0.403583D+00 -0.176826D+01 -0.137693D+01 -0.169980D+01
      4   0.269424D+02  0.219623D+01  0.190521D+01  0.407150D+01  0.389860D+01
      5   0.128064D+01  0.193352D+01  0.361207D+01  0.259942D+01  0.109115D+01
      6  -0.135335D+01  0.180488D+01  0.169362D+01  0.203253D+01  0.859866D+00
               361           362           363           364           365 
      1   0.127195D+03 -0.160145D+02 -0.231973D+02 -0.127209D+02  0.202120D+02
      2  -0.767019D+02  0.925846D+01  0.199183D+02  0.757308D+01 -0.138391D+02
      3  -0.504936D+02  0.675605D+01  0.327908D+01  0.514780D+01 -0.637287D+01
      4  -0.129195D+02  0.343736D+02  0.571518D+01  0.653966D+02 -0.195566D+02
      5  -0.493320D+02  0.781894D+01  0.445028D+02  0.498668D+01 -0.273083D+02
      6   0.143302D+01 -0.955548D+01 -0.965850D+00 -0.224228D+02  0.603771D+01
               366           367           368           369           370 
      1  -0.272902D+00  0.112530D+01  0.886513D+00  0.349731D+01 -0.535296D+01
      2  -0.515370D+01  0.213761D+02 -0.403161D+01 -0.457225D+02  0.242237D+01
      3   0.542660D+01 -0.225014D+02  0.314510D+01  0.422252D+02  0.293059D+01
      4  -0.268722D+02  0.977007D+01 -0.149204D+02 -0.153822D+01 -0.293244D+01
      5  -0.102194D+02  0.627446D+02 -0.104734D+02 -0.521468D+02  0.534668D+01
      6   0.243045D+02 -0.771737D+00  0.177179D+02 -0.497324D+01  0.446775D+00
               371           372           373           374           375 
      1  -0.303724D+01  0.112071D+01 -0.634786D+01 -0.734125D+01 -0.640815D+00
      2  -0.337345D+00 -0.209760D+01  0.351715D+01 -0.101283D+01 -0.477368D+01
      3   0.337458D+01  0.976890D+00  0.283071D+01  0.835408D+01  0.541449D+01
      4  -0.194271D+01  0.105283D+01 -0.176720D+01 -0.433457D+01 -0.463269D+00
      5   0.551266D+01 -0.220851D+01  0.519417D+01  0.570891D+01 -0.426706D+01
      6  -0.442339D+00 -0.220495D+00 -0.747493D-01  0.170486D+01  0.906176D+00
               376           377           378 
      1   0.674730D+00  0.459913D-01 -0.484621D+01
      2   0.958210D-01 -0.373885D+01 -0.784092D+00
      3  -0.770551D+00  0.369286D+01  0.563031D+01
      4   0.193062D+01 -0.626186D+00 -0.148131D+01
      5  -0.170379D+00 -0.139736D+01  0.788497D+00
      6  -0.632713D+00  0.121069D+01  0.206167D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.359821D+03      0.533200D+02      0.593265D+02
   aniso      0.216592D+03      0.320956D+02      0.357112D+02
   xx         0.438348D+03      0.649565D+02      0.722738D+02
   yx        -0.184831D+02     -0.273892D+01     -0.304745D+01
   yy         0.402464D+03      0.596390D+02      0.663573D+02
   zx         0.448074D+02      0.663977D+01      0.738774D+01
   zy         0.442095D+02      0.655117D+01      0.728916D+01
   zz         0.238651D+03      0.353645D+02      0.393483D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.359821D+03      0.533200D+02      0.593265D+02
   aniso      0.216592D+03      0.320956D+02      0.357112D+02
   xx         0.348595D+03      0.516565D+02      0.574756D+02
   yx         0.688911D+02      0.102086D+02      0.113586D+02
   yy         0.347599D+03      0.515089D+02      0.573114D+02
   zx        -0.819064D+02     -0.121373D+02     -0.135045D+02
   zy         0.614012D+02      0.909871D+01      0.101237D+02
   zz         0.383269D+03      0.567946D+02      0.631925D+02

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 EDUCATION WITHOUT COMMON SENSE IS A LOAD OF BOOKS ON THE BACK OF AN ASS.
 Job cpu time:       5 days  4 hours  1 minutes 25.9 seconds.
 Elapsed time:       0 days  7 hours 45 minutes 40.7 seconds.
 File lengths (MBytes):  RWF=   2532 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Sun Jul 25 00:30:48 2021.
